EVODEX.1-P1809 - Partial Reaction

SMIRKS

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:99])([C:35]([C:36]([H:100])([H:101])[H:102])([C:37]([H:103])([H:104])[H:105])[C:38]([O:39][P:40](=[O:41])([O:42][H:106])[O:43][P:44](=[O:45])([O:46][H:107])[O:47][C:48]([C@@:49]1([H:108])[O:50][C@:51]([N:52]2:[C:53]([H:109]):[N:54]:[C:55]3:[C:56]([N:57]([H:110])[H:111]):[N:58]:[C:59]([H:112]):[N:60]:[C:61]:2:3)([H:113])[C@@:62]([O:63][H:114])([H:115])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:116])[O:69][H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])[H:140])[H:141])([H:142])[H:143])[H:144])[H:145])([H:146])[H:147])[H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])([H:163])[H:164]>>[H]OP(=O)(O[H])OC([H])([H])C([H])(O[C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:162])([H:163])[H:164])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])[H:153])[H:152])([H:150])[H:151])[H:149])[H:148])([H:146])[H:147])[H:145])[H:144])([H:142])[H:143])[H:141])[H:140])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])=[O:21])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:99])([C:35]([C:36]([H:100])([H:101])[H:102])([C:37]([H:103])([H:104])[H:105])[C:38]([O:39][P:40](=[O:41])([O:42][H:106])[O:43][P:44](=[O:45])([O:46][H:107])[O:47][C:48]([C@@:49]1([H:108])[O:50][C@:51]([N:52]2:[C:53]([H:109]):[N:54]:[C:55]3:[C:56]([N:57]([H:110])[H:111]):[N:58]:[C:59]([H:112]):[N:60]:[C:61]:2:3)([H:113])[C@@:62]([O:63][H:114])([H:115])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:116])[O:69][H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133]

Derived Operators

EVODEX.1-F358 - Elemental Balance

P	1
O	7
C	21
H	41

EVODEX.1-M362 - Mass Difference

436.25913

EVODEX.1-E1149 - Reaction Operator E

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19]>>[#6:15]-[#6:16](=[#8:17])-[#8]-[#6@](-[#6](-[#8]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H].[#16:18](-[#6:19])-[H]

EVODEX.1-C332 - Reaction Operator C

[#6:20]-[#16:22]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[#6:20])-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:22]

EVODEX.1-N385 - Reaction Operator N

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[#6:20](-[#6:19])=[#8:21])-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:22]-[#6:23]

EVODEX.1-Em6 - Reaction Operator Em

[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]

EVODEX.1-Cm12 - Reaction Operator Cm

[#6:4]-[#16:6]>>[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-Nm7 - Reaction Operator Nm

[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]

Source Full Reactions

EVODEX.1-R2460

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:99])([C:35]([C:36]([H:100])([H:101])[H:102])([C:37]([H:103])([H:104])[H:105])[C:38]([O:39][P:40](=[O:41])([O:42][H:106])[O:43][P:44](=[O:45])([O:46][H:107])[O:47][C:48]([C@@:49]1([H:108])[O:50][C@:51]([N:52]2:[C:53]([H:109]):[N:54]:[C:55]3:[C:56]([N:57]([H:110])[H:111]):[N:58]:[C:59]([H:112]):[N:60]:[C:61]:2:3)([H:113])[C@@:62]([O:63][H:114])([H:115])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:116])[O:69][H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])[H:140])[H:141])([H:142])[H:143])[H:144])[H:145])([H:146])[H:147])[H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])([H:163])[H:164].[H][O:92][C@:91]([C:90]([O:89][C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79](=[C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([H:203])([H:204])[H:205])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])[H:188])[H:187])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])=[O:88])([H:171])[H:172])([C:93]([O:94][P:95](=[O:96])([O:97][H:166])[O:98][H:167])([H:168])[H:169])[H:170]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:92][C:91]([C:90]([O:89][C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79](=[C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([H:203])([H:204])[H:205])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])[H:188])[H:187])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])=[O:88])([H:171])[H:172])([C:93]([O:94][P:95](=[O:96])([O:97][H:166])[O:98][H:167])([H:168])[H:169])[H:170])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])[H:140])[H:141])([H:142])[H:143])[H:144])[H:145])([H:146])[H:147])[H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])([H:163])[H:164].[H][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:99])([C:35]([C:36]([H:100])([H:101])[H:102])([C:37]([H:103])([H:104])[H:105])[C:38]([O:39][P:40](=[O:41])([O:42][H:106])[O:43][P:44](=[O:45])([O:46][H:107])[O:47][C:48]([C@@:49]1([H:108])[O:50][C@:51]([N:52]2:[C:53]([H:109]):[N:54]:[C:55]3:[C:56]([N:57]([H:110])[H:111]):[N:58]:[C:59]([H:112]):[N:60]:[C:61]:2:3)([H:113])[C@@:62]([O:63][H:114])([H:115])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:116])[O:69][H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[H:123])[H:124])([H:125])[H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([H:132])[H:133]