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EVODEX.1-P4407

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E70 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1](-[H:33])-[H].([#8:10]-[#6@:9]1(-[#6@@:8]-[#6@:24](-[#8:23]-[#6@:13](-[#6@@:11]-1(-[#8:12])-[H:40])(-[#8:14]-[#6:15])-[H:50])(-[#6:25])-[H:54])-[H:38].[#8:28]-[#6@:27](-[#6@:6])(-[H:57])-[#6@:29](-[#8:30])(-[H:59])-[#6@@:31](-[#6@@:4])(-[#8:32])-[H:61])>>[#8:14](-[#6:15])-[H].([#8:1](-[#6@@:13]1(-[H:50])-[#6@@:11](-[#8:12])(-[H:40])-[#6@:9](-[#8:10])(-[H:38])-[#6@@:8]-[#6@:24](-[#6:25])(-[H:54])-[#8:23]-1)-[H:33].[#8:32]-[#6@@:31](-[#6@@:4])(-[H:61])-[#6@@:29](-[#8:30])(-[H:59])-[#6@:27](-[#6@:6])(-[#8:28])-[H:57])

EVODEX.1-C529 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:1].([#8:14]-[#6@:13]-[#6@:11]-[#6@@:9].[#6@@:82].[#6@@:85]-[#6@:87]-[#6@@:89])>>[H]-[#8:14].([#8:1]-[#6@@:13]-[#6@@:11]-[#6@:9].[#6@:89]-[#6@@:87]-[#6@:85].[#6@:82])

EVODEX.1-N673 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:1]-[H:91].([#8:10]-[#6@:9]1(-[#6@@:8]-[#6@:82](-[#8:81]-[#6@@:13](-[#6@@:11]-1(-[#8:12])-[H:98])(-[#8:14]-[#6@@:15])-[H:160])(-[#6:83])-[H:164])-[H:96].[#8:86]-[#6@:85](-[#6@@:6])(-[H:167])-[#6@:87](-[#8:88])(-[H:169])-[#6@@:89](-[#6@@:4])(-[#8:90])-[H:171])>>[H]-[#8:14]-[#6@@:15].([#8:1](-[#6@@:13]1(-[H:160])-[#6@@:11](-[#8:12])(-[H:98])-[#6@:9](-[#8:10])(-[H:96])-[#6@@:8]-[#6@:82](-[#6:83])(-[H:164])-[#8:81]-1)-[H:91].[#8:90]-[#6@@:89](-[#6@@:4])(-[H:171])-[#6@@:87](-[#8:88])(-[H:169])-[#6@:85](-[#6@@:6])(-[#8:86])-[H:167])

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-R5247

Full Reaction Rendering

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