EVODEX.1-P4420

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E226 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:13]-[#6@:14](-[#8:15]-[#6:16])(-[#6:22])-[#6:25].[#8:28](-[H:52])-[H]>>[#8:13]-[#6@:14](-[#6:22])(-[#8:28]-[H:52])-[#6:25].[#8:15](-[#6:16])-[H]

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-N1131 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:13]-[#6@@:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]-[H:75]>>[#8:13]-[#6@@:14](-[#6:36])(-[#8:42]-[H:75])-[#6:39].[H]-[#8:15]-[#6:16]

EVODEX.1-Em633 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

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-Nm568 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:36])-[#6:39].[H]-[#8:42]>>[#8:13]-[#6:14](-[#6:36])(-[#8:42])-[#6:39].[H]-[#8:15]-[#6:16]

Source Full Reactions

EVODEX.1-R5255

Full Reaction Rendering

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