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EVODEX.1-P4305

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C81 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:8]-[#6@:7]-[#6@@:18]-[#6@:20]-[#6@@:22].[H]-[#8:1]>>[#8:1]-[#6:7]-[#6@:18]-[#6@@:20]-[#6@:22].[H]-[#8:8]

EVODEX.1-N629 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:6]1-[#6@@:5]-[#6@:22](-[#6@@:20](-[#6@:18](-[#6@@:7]-1(-[#8:8]-[#6:9])-[H:30])(-[#8:19])-[H:32])(-[#8:21])-[H:34])(-[#8:23])-[H:36].[H]-[#8:1]-[H:37]>>[#8:1](-[#6:7]1(-[H:30])-[#8:6]-[#6@@:5]-[#6@:22](-[#8:23])(-[H:36])-[#6@@:20](-[#8:21])(-[H:34])-[#6@:18]-1(-[#8:19])-[H:32])-[H:37].[H]-[#8:8]-[#6:9]

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-R5151

Full Reaction Rendering

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