EVODEX.1-P4384

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E141 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6](-[#6@@:5])(-[#8:7]-[#6@:8])(-[H:81])-[#8:42].[#8:50](-[H:94])-[H]>>[#6:6](-[#6@@:5])(-[#8:50]-[H:94])(-[H:81])-[#8:42].[#8:7](-[#6@:8])-[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-N1130 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]-[#6@@:4](-[#8:5]-[#6@@:6])(-[H:32])-[#6@@:15].[H]-[#8:21]-[H:42]>>[#8:3]-[#6@:4](-[#8:21]-[H:42])(-[H:32])-[#6@@:15].[H]-[#8:5]-[#6@@:6]

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-R5223

Full Reaction Rendering

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