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EVODEX.1-P1983

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O: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:114])([H:115])[H:116])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])[H:105])[H:104])([H:102])[H:103])[H:101])[H:100])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85]>>[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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O: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:114])([H:115])[H:116])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])[H:105])[H:104])([H:102])[H:103])[H:101])[H:100])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85]

Derived Operators

EVODEX.1-F28 - Elemental Balance

C14
O1
H26

EVODEX.1-M96 - Mass Difference

210.19848

EVODEX.1-E469 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:27]-[#8:28]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:28]-[#6:27])(-[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]

EVODEX.1-C330 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:28]>>[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:28]

EVODEX.1-N383 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:28]-[#6:27]>>[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2643

Full Reaction Rendering

[H][O: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:114])([H:115])[H:116])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])[H:105])[H:104])([H:102])[H:103])[H:101])[H:100])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85].[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33](=[O:34])[S:35][C:36]([C:37]([N:38]([C:39](=[O:40])[C:41]([C:42]([N:43]([C:44](=[O:45])[C@:46]([O:47][H:117])([C:48]([C:49]([H:118])([H:119])[H:120])([C:50]([H:121])([H:122])[H:123])[C:51]([O:52][P:53](=[O:54])([O:55][H:124])[O:56][P:57](=[O:58])([O:59][H:125])[O:60][C:61]([C@@:62]1([H:126])[O:63][C@:64]([N:65]2:[C:66]([H:127]):[N:67]:[C:68]3:[C:69]([N:70]([H:128])[H:129]):[N:71]:[C:72]([H:130]):[N:73]:[C:74]:2:3)([H:131])[C@@:75]([O:76][H:132])([H:133])[C@@:77]1([O:78][P:79](=[O:80])([O:81][H:134])[O:82][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: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]>>[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][C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:176])([H:177])[H:178])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])=[O:34])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[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][S:35][C:36]([C:37]([N:38]([C:39](=[O:40])[C:41]([C:42]([N:43]([C:44](=[O:45])[C@:46]([O:47][H:117])([C:48]([C:49]([H:118])([H:119])[H:120])([C:50]([H:121])([H:122])[H:123])[C:51]([O:52][P:53](=[O:54])([O:55][H:124])[O:56][P:57](=[O:58])([O:59][H:125])[O:60][C:61]([C@@:62]1([H:126])[O:63][C@:64]([N:65]2:[C:66]([H:127]):[N:67]:[C:68]3:[C:69]([N:70]([H:128])[H:129]):[N:71]:[C:72]([H:130]):[N:73]:[C:74]:2:3)([H:131])[C@@:75]([O:76][H:132])([H:133])[C@@:77]1([O:78][P:79](=[O:80])([O:81][H:134])[O:82][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]