EVODEX.1-P2099

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C@:11]2([H:51])[O:12][C@@:13]([C:14]([O:15][H:52])([H:53])[H:54])([H:55])[C@:16]([O:17][H:56])([H:57])[C@@:18]([O:19][H:58])([H:59])[C@:20]2([O:21][C:22](=[O:23])[C:24](=[C:25]([C:26]2:[C:27]([H:60]):[C:28]([O:29][C:30]([H:61])([H:62])[H:63]):[C:31]([O:32][H:64]):[C:33]([O:34][C:35]([H:65])([H:66])[H:67]):[C:36]:2[H:68])[H:69])[H:70])[H:71])[H:72])[H:73]):[C:37]([H:74]):[C:38]([O:39][C:40]([H:75])([H:76])[H:77]):[C:41]:1[O:42][H:78])([H:79])([H:80])[H:81].[H][O:49][C:48]([C:47]([N+:44]([C:43]([H:93])([H:94])[H:95])([C:45]([H:82])([H:83])[H:84])[C:46]([H:85])([H:86])[H:87])([H:91])[H:92])([H:89])[H:90]>>[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:49][C:48]([C:47]([N+:44]([C:43]([H:93])([H:94])[H:95])([C:45]([H:82])([H:83])[H:84])[C:46]([H:85])([H:86])[H:87])([H:91])[H:92])([H:89])[H:90])[H:72])[H:73]):[C:37]([H:74]):[C:38]([O:39][C:40]([H:75])([H:76])[H:77]):[C:41]:1[O:42][H:78])([H:79])([H:80])[H:81].[H][O:10][C@:11]1([H:51])[O:12][C@@:13]([C:14]([O:15][H:52])([H:53])[H:54])([H:55])[C@:16]([O:17][H:56])([H:57])[C@@:18]([O:19][H:58])([H:59])[C@:20]1([O:21][C:22](=[O:23])[C:24](=[C:25]([C:26]1:[C:27]([H:60]):[C:28]([O:29][C:30]([H:61])([H:62])[H:63]):[C:31]([O:32][H:64]):[C:33]([O:34][C:35]([H:65])([H:66])[H:67]):[C:36]:1[H:68])[H:69])[H:70])[H:71]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N73 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

EVODEX.1-Em466 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]=[#6:2]-[#6:4](=[#8:5])-[#8:6]-[#6:7].[H]-[#8:8]-[#6:9]>>[#6:1]=[#6:2]-[#6:4](=[#8:5])-[#8:8]-[#6:9].[H]-[#8:6]-[#6:7]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm128 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

Source Full Reactions

EVODEX.1-R2855

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C@:11]2([H:51])[O:12][C@@:13]([C:14]([O:15][H:52])([H:53])[H:54])([H:55])[C@:16]([O:17][H:56])([H:57])[C@@:18]([O:19][H:58])([H:59])[C@:20]2([O:21][C:22](=[O:23])[C:24](=[C:25]([C:26]2:[C:27]([H:60]):[C:28]([O:29][C:30]([H:61])([H:62])[H:63]):[C:31]([O:32][H:64]):[C:33]([O:34][C:35]([H:65])([H:66])[H:67]):[C:36]:2[H:68])[H:69])[H:70])[H:71])[H:72])[H:73]):[C:37]([H:74]):[C:38]([O:39][C:40]([H:75])([H:76])[H:77]):[C:41]:1[O:42][H:78])([H:79])([H:80])[H:81].[H][O:49][C:48]([C:47]([N+:44]([C:43]([H:93])([H:94])[H:95])([C:45]([H:82])([H:83])[H:84])[C:46]([H:85])([H:86])[H:87])([H:91])[H:92])([H:89])[H:90]>>[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:49][C:48]([C:47]([N+:44]([C:43]([H:93])([H:94])[H:95])([C:45]([H:82])([H:83])[H:84])[C:46]([H:85])([H:86])[H:87])([H:91])[H:92])([H:89])[H:90])[H:72])[H:73]):[C:37]([H:74]):[C:38]([O:39][C:40]([H:75])([H:76])[H:77]):[C:41]:1[O:42][H:78])([H:79])([H:80])[H:81].[H][O:10][C@:11]1([H:51])[O:12][C@@:13]([C:14]([O:15][H:52])([H:53])[H:54])([H:55])[C@:16]([O:17][H:56])([H:57])[C@@:18]([O:19][H:58])([H:59])[C@:20]1([O:21][C:22](=[O:23])[C:24](=[C:25]([C:26]1:[C:27]([H:60]):[C:28]([O:29][C:30]([H:61])([H:62])[H:63]):[C:31]([O:32][H:64]):[C:33]([O:34][C:35]([H:65])([H:66])[H:67]):[C:36]:1[H:68])[H:69])[H:70])[H:71]