EVODEX.1-P4399

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:35])[C@@:8]([O:9][C:10]2:[C:11]([H:36]):[C:12]([H:37]):[C:13]([Cl:14]):[C:15]([H:38]):[C:16]:2[H:39])([H:40])[O:17][C@@:18]([C:19]([O:20][C:21]([C:22]([H:41])([H:42])[H:43])=[O:23])([H:44])[H:45])([H:46])[C@:24]([O:25][C:26]([C:27]([H:47])([H:48])[H:49])=[O:28])([H:50])[C@@:29]1([O:30][C:31]([C:32]([H:51])([H:52])[H:53])=[O:33])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][O:34][H:63]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:35])[C@@:8]([O:34][H:63])([H:40])[O:17][C@@:18]([C:19]([O:20][C:21]([C:22]([H:41])([H:42])[H:43])=[O:23])([H:44])[H:45])([H:46])[C@:24]([O:25][C:26]([C:27]([H:47])([H:48])[H:49])=[O:28])([H:50])[C@@:29]1([O:30][C:31]([C:32]([H:51])([H:52])[H:53])=[O:33])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][O:9][C:10]1:[C:11]([H:36]):[C:12]([H:37]):[C:13]([Cl:14]):[C:15]([H:38]):[C:16]:1[H:39]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E141 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6](-[#6@@:5])(-[#8:7]-[#6@:8])(-[H:81])-[#8:42].[#8:50](-[H:94])-[H]>>[#6:6](-[#6@@:5])(-[#8:50]-[H:94])(-[H:81])-[#8:42].[#8:7](-[#6@:8])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N1130 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]-[#6@@:4](-[#8:5]-[#6@@:6])(-[H:32])-[#6@@:15].[H]-[#8:21]-[H:42]>>[#8:3]-[#6@:4](-[#8:21]-[H:42])(-[H:32])-[#6@@:15].[H]-[#8:5]-[#6@@:6]

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-R5237

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:35])[C@@:8]([O:9][C:10]2:[C:11]([H:36]):[C:12]([H:37]):[C:13]([Cl:14]):[C:15]([H:38]):[C:16]:2[H:39])([H:40])[O:17][C@@:18]([C:19]([O:20][C:21]([C:22]([H:41])([H:42])[H:43])=[O:23])([H:44])[H:45])([H:46])[C@:24]([O:25][C:26]([C:27]([H:47])([H:48])[H:49])=[O:28])([H:50])[C@@:29]1([O:30][C:31]([C:32]([H:51])([H:52])[H:53])=[O:33])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][O:34][H:63]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:35])[C@@:8]([O:34][H:63])([H:40])[O:17][C@@:18]([C:19]([O:20][C:21]([C:22]([H:41])([H:42])[H:43])=[O:23])([H:44])[H:45])([H:46])[C@:24]([O:25][C:26]([C:27]([H:47])([H:48])[H:49])=[O:28])([H:50])[C@@:29]1([O:30][C:31]([C:32]([H:51])([H:52])[H:53])=[O:33])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][O:9][C:10]1:[C:11]([H:36]):[C:12]([H:37]):[C:13]([Cl:14]):[C:15]([H:38]):[C:16]:1[H:39]