EVODEX.1-P4519

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C538 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:1].[#8:7]-[#6@:6]-[#6@@:35]-[#6@:37]>>[#8:1]-[#6@@:6]-[#6@:35]-[#6@@:37].[H]-[#8:7]

EVODEX.1-N686 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:1]-[H:39].[#8:5]1-[#6@:4]-[#6@@:37](-[#6@:35](-[#6@@:6]-1(-[#8:7]-[#6:8])-[H:67])(-[#8:36])-[H:69])(-[#8:38])-[H:71]>>[#8:1](-[#6@@:6]1(-[H:67])-[#8:5]-[#6@:4]-[#6@@:37](-[#8:38])(-[H:71])-[#6@:35]-1(-[#8:36])-[H:69])-[H:39].[H]-[#8:7]-[#6:8]

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-R5353

Full Reaction Rendering

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