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EVODEX.1-P2465

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E284 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:4]-[#6@@:5](-[#6:6])(-[#8:8]-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#6@:20].[#6:33]-[#8:34]-[H]>>[#8:34](-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#6:33].[#8:4]-[#6:5](-[#6:6])(-[#8:8]-[H])-[#6@:20]

EVODEX.1-C166 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:8].[#8:18](-[#6@@:15]-[#6@:30]-[#6@@:32])-[#6@@:19]>>[#8:8]-[#6@@:19].[H]-[#8:18]-[#6:15]-[#6@@:30]-[#6@:32]

EVODEX.1-N460 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:8]-[#6:7].[#8:14]1-[#6@@:13]-[#6@:32](-[#6@@:30](-[#6@:15]-1(-[#6:16])-[#8:18]-[#6@@:19](-[H:54])(-[#8:20])-[#6@:28])(-[#8:31])-[H:66])(-[#8:33])-[H:68]>>[#6:7]-[#8:8]-[#6@@:19](-[H:54])(-[#8:20])-[#6@:28].[H]-[#8:18]-[#6:15]1(-[#6:16])-[#8:14]-[#6@@:13]-[#6@:32](-[#8:33])(-[H:68])-[#6@@:30]-1(-[#8:31])-[H:66]

EVODEX.1-Em44 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

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-Nm47 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

Source Full Reactions

EVODEX.1-R3216

Full Reaction Rendering

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