EVODEX.1-P4447

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E258 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7]-[#6@:8](-[#8:9]-[#6@:10](-[H:30])(-[#8:11])-[#6@:19])(-[H:41])-[#6@@:21].[#8:28](-[H:53])-[H]>>[#8:7]-[#6@:8](-[#8:28]-[H:53])(-[H:41])-[#6@@:21].[#8:9](-[#6:10](-[H:30])(-[#8:11])-[#6@:19])-[H]

EVODEX.1-C37 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]

EVODEX.1-N1127 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6@@:4](-[#8:5]-[#6@:6](-[H:39])(-[#8:7])-[#6@:15])(-[H:50])-[#8:17].[H]-[#8:38]-[H:71]>>[#6:3]-[#6@@:4](-[#8:38]-[H:71])(-[H:50])-[#8:17].[H]-[#8:5]-[#6:6](-[H:39])(-[#8:7])-[#6@:15]

EVODEX.1-Em32 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

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-Nm33 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

Source Full Reactions

EVODEX.1-R5287

Full Reaction Rendering

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