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EVODEX.1-P4371

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E71 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1](-[H:47])-[H].([#8:10]1-[#6@@:9]-[#6@:28](-[#6@@:26](-[#6@:24](-[#6@:11]-1(-[#8:12]-[#6@@:13])-[H:62])(-[#8:25])-[H:64])(-[#8:27])-[H:66])(-[#8:29])-[H:78].[#8:42]-[#6@:41](-[#6@@:6])(-[H:83])-[#6@:43](-[#8:44])(-[H:85])-[#6@@:45](-[#6@@:4])(-[#8:46])-[H:87])>>[#8:12](-[#6@@:13])-[H].([#8:1](-[#6@@:11]1(-[H:62])-[#8:10]-[#6@@:9]-[#6@:28](-[#8:29])(-[H:78])-[#6@@:26](-[#8:27])(-[H:66])-[#6@:24]-1(-[#8:25])-[H:64])-[H:47].[#8:46]-[#6@@:45](-[#6@@:4])(-[H:87])-[#6@@:43](-[#8:44])(-[H:85])-[#6@:41](-[#6@@:6])(-[#8:42])-[H:83])

EVODEX.1-C532 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:1].([#8:12]-[#6@@:11]-[#6@@:24]-[#6@:26]-[#6@@:28].[#6@@:41]-[#6@:43]-[#6@@:45])>>[H]-[#8:12].([#8:1]-[#6@@:11]-[#6@:24]-[#6@@:26]-[#6@:28].[#6@:45]-[#6@@:43]-[#6@:41])

EVODEX.1-N676 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:1]-[H:47].([#8:10]1-[#6@@:9]-[#6@:28](-[#6@@:26](-[#6@:24](-[#6@:11]-1(-[#8:12]-[#6@@:13])-[H:62])(-[#8:25])-[H:64])(-[#8:27])-[H:66])(-[#8:29])-[H:78].[#8:42]-[#6@:41](-[#6@@:6])(-[H:83])-[#6@:43](-[#8:44])(-[H:85])-[#6@@:45](-[#6@@:4])(-[#8:46])-[H:87])>>[H]-[#8:12]-[#6@@:13].([#8:1](-[#6@@:11]1(-[H:62])-[#8:10]-[#6@@:9]-[#6@:28](-[#8:29])(-[H:78])-[#6@@:26](-[#8:27])(-[H:66])-[#6@:24]-1(-[#8:25])-[H:64])-[H:47].[#8:46]-[#6@@:45](-[#6@@:4])(-[H:87])-[#6@@:43](-[#8:44])(-[H:85])-[#6@:41](-[#6@@:6])(-[#8:42])-[H:83])

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-R5210

Full Reaction Rendering

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