EVODEX.1-P1801 - Partial Reaction

SMIRKS

[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[O:46])[S:47][C:48]([C:49]([N:50]([C:51](=[O:52])[C:53]([C:54]([N:55]([C:56](=[O:57])[C@:58]([O:59][H:136])([C:60]([C:61]([H:137])([H:138])[H:139])([C:62]([H:140])([H:141])[H:142])[C:63]([O:64][P:65](=[O:66])([O:67][H:143])[O:68][P:69](=[O:70])([O:71][H:144])[O:72][C:73]([C@@:74]1([H:145])[O:75][C@:76]([N:77]2:[C:78]([H:146]):[N:79]:[C:80]3:[C:81]([N:82]([H:147])[H:148]):[N:83]:[C:84]([H:149]):[N:85]:[C:86]:2:3)([H:150])[C@@:87]([O:88][H:151])([H:152])[C@@:89]1([O:90][P:91](=[O:92])([O:93][H:153])[O:94][H:154])[H:155])([H:156])[H:157])([H:158])[H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])[H:166])([H:167])[H:168])([H:169])[H:170])([H:171])[H:172])([H:173])[H:174])([H:175])[H:176])([H:177])[H:178])([H:179])[H:180])([H:181])[H:182])([H:183])[H:184])([H:185])[H:186])([H:187])[H:188])([H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])([H:200])[H:201]>>[H]OP(=O)(O[H])OC([H])([H])[C@]([H])(O[C:45]([C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([H:199])([H:200])[H:201])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([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])([H:171])[H:172])=[O:46])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:47][C:48]([C:49]([N:50]([C:51](=[O:52])[C:53]([C:54]([N:55]([C:56](=[O:57])[C@:58]([O:59][H:136])([C:60]([C:61]([H:137])([H:138])[H:139])([C:62]([H:140])([H:141])[H:142])[C:63]([O:64][P:65](=[O:66])([O:67][H:143])[O:68][P:69](=[O:70])([O:71][H:144])[O:72][C:73]([C@@:74]1([H:145])[O:75][C@:76]([N:77]2:[C:78]([H:146]):[N:79]:[C:80]3:[C:81]([N:82]([H:147])[H:148]):[N:83]:[C:84]([H:149]):[N:85]:[C:86]:2:3)([H:150])[C@@:87]([O:88][H:151])([H:152])[C@@:89]1([O:90][P:91](=[O:92])([O:93][H:153])[O:94][H:154])[H:155])([H:156])[H:157])([H:158])[H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])[H:166])([H:167])[H:168])([H:169])[H:170]

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-R2455

[H][O:23][C@:22]([C:21]([O:20][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:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])[H:118])[H:117])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])=[O:19])([H:101])[H:102])([C:24]([O:25][P:26](=[O:27])([O:28][H:96])[O:29][H:97])([H:98])[H:99])[H:100].[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[O:46])[S:47][C:48]([C:49]([N:50]([C:51](=[O:52])[C:53]([C:54]([N:55]([C:56](=[O:57])[C@:58]([O:59][H:136])([C:60]([C:61]([H:137])([H:138])[H:139])([C:62]([H:140])([H:141])[H:142])[C:63]([O:64][P:65](=[O:66])([O:67][H:143])[O:68][P:69](=[O:70])([O:71][H:144])[O:72][C:73]([C@@:74]1([H:145])[O:75][C@:76]([N:77]2:[C:78]([H:146]):[N:79]:[C:80]3:[C:81]([N:82]([H:147])[H:148]):[N:83]:[C:84]([H:149]):[N:85]:[C:86]:2:3)([H:150])[C@@:87]([O:88][H:151])([H:152])[C@@:89]1([O:90][P:91](=[O:92])([O:93][H:153])[O:94][H:154])[H:155])([H:156])[H:157])([H:158])[H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])[H:166])([H:167])[H:168])([H:169])[H:170])([H:171])[H:172])([H:173])[H:174])([H:175])[H:176])([H:177])[H:178])([H:179])[H:180])([H:181])[H:182])([H:183])[H:184])([H:185])[H:186])([H:187])[H:188])([H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])([H:200])[H:201]>>[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](=[O:19])[O:20][C:21]([C@@:22]([O:23][C:45]([C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([H:199])([H:200])[H:201])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([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])([H:171])[H:172])=[O:46])([C:24]([O:25][P:26](=[O:27])([O:28][H:96])[O:29][H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[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][S:47][C:48]([C:49]([N:50]([C:51](=[O:52])[C:53]([C:54]([N:55]([C:56](=[O:57])[C@:58]([O:59][H:136])([C:60]([C:61]([H:137])([H:138])[H:139])([C:62]([H:140])([H:141])[H:142])[C:63]([O:64][P:65](=[O:66])([O:67][H:143])[O:68][P:69](=[O:70])([O:71][H:144])[O:72][C:73]([C@@:74]1([H:145])[O:75][C@:76]([N:77]2:[C:78]([H:146]):[N:79]:[C:80]3:[C:81]([N:82]([H:147])[H:148]):[N:83]:[C:84]([H:149]):[N:85]:[C:86]:2:3)([H:150])[C@@:87]([O:88][H:151])([H:152])[C@@:89]1([O:90][P:91](=[O:92])([O:93][H:153])[O:94][H:154])[H:155])([H:156])[H:157])([H:158])[H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])[H:166])([H:167])[H:168])([H:169])[H:170]