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EVODEX.1-P4312

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-C1387 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:5](-[#6@:4])-[#6@@:6].[#6@@:24]).[H]-[#8:40]>>[#8:40]-[#6@@:6].([H]-[#8:5]-[#6:4].[#6@:24])

EVODEX.1-N1762 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:5](-[#6@@:4](-[#6@:3]-[#6@:24](-[#6:19])(-[#6:25])-[H:70])(-[H:53])-[#8:17])-[#6@@:6](-[H:42])(-[#8:7])-[#6@@:15].[H]-[#8:40]-[H:74]>>[#8:40](-[#6@@:6](-[H:42])(-[#8:7])-[#6@@:15])-[H:74].[H]-[#8:5]-[#6:4](-[H:53])(-[#6@:3]-[#6@:24](-[#6:25])(-[H:70])-[#6:19])-[#8:17]

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-R5159

Full Reaction Rendering

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