EVODEX.1-P4508

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]2([H:42])[C@@:9]([O:10][C@:11]3([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]4([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]4([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]3([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]2([O:34][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]1([H:42])[C@@:9]([O:10][C@:11]2([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]3([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]3([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]2([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][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-R5346

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