EVODEX.1-P357 - Partial Reaction

SMIRKS

[H][C:13]1([H:53])[C:12]([C:10]([C@:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:43])([H:44])[H:45])[H:72])([N:5]([H:46])[H:47])[C:6](=[O:7])[C:8]([N:9]([H:48])[H:49])([H:50])[H:51])=[O:11])([H:52])[N:30]([H:71])[C@:15]([C:16](=[O:17])[C:18]([N:19]([H:57])[H:58])([C:20](=[O:21])[C@@:22]([N:23]([H:59])[H:60])([C:24](=[O:25])[O:26][H:61])[C:27]([C:28]([H:62])([H:63])[H:64])([C:29]([H:65])([H:66])[H:67])[H:68])[H:69])([H:70])[C:14]1([H:55])[H:56].[H]OC(=O)[C:36]([C:35]([C:34]([C:32](=[O:31])[O:33][H:76])([H:80])[H:81])([H:78])[H:79])=[O:37]>>[H]O[C:13]1([H:53])[C:12]([C:10]([C@:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:43])([H:44])[H:45])[H:72])([N:5]([H:46])[H:47])[C:6](=[O:7])[C:8]([N:9]([H:48])[H:49])([H:50])[H:51])=[O:11])([H:52])[N:30]([H:71])[C@:15]([C:16](=[O:17])[C:18]([N:19]([H:57])[H:58])([C:20](=[O:21])[C@@:22]([N:23]([H:59])[H:60])([C:24](=[O:25])[O:26][H:61])[C:27]([C:28]([H:62])([H:63])[H:64])([C:29]([H:65])([H:66])[H:67])[H:68])[H:69])([H:70])[C:14]1([H:55])[H:56].[H]O[C:36]([C:35]([C:34]([C:32](=[O:31])[O:33][H:76])([H:80])[H:81])([H:78])[H:79])=[O:37]

Derived Operators

EVODEX.1-F91 - Elemental Balance

-1

EVODEX.1-M42 - Mass Difference

-12.0

EVODEX.1-E665 - Reaction Operator E

[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6](=[#8])-[#8]-[H]>>[#6:13]-[#6@:14](-[#8]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#8]-[H]

EVODEX.1-C56 - Reaction Operator C

[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6:15]>>[H]-[#8]-[#6:4].[H]-[#8]-[#6:15]

EVODEX.1-N164 - Reaction Operator N

[H]-[#6:8](-[H:25])(-[#6@:4])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6@:8](-[H:25])(-[#6@:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

EVODEX.1-Em246 - Reaction Operator Em

[H]-[#6:8](-[#6:4])-[#6:9].[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6:8](-[#6:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

EVODEX.1-Cm93 - Reaction Operator Cm

[H]-[#6:4].[#6]-[#6:15]>>[#8]-[#6:4].[#8]-[#6:15]

EVODEX.1-Nm244 - Reaction Operator Nm

[H]-[#6:8](-[#6:4])-[#6:9].[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6:8](-[#6:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

Source Full Reactions

EVODEX.1-R372

[H][C:13]1([H:53])[C:12]([C:10]([C@:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:43])([H:44])[H:45])[H:72])([N:5]([H:46])[H:47])[C:6](=[O:7])[C:8]([N:9]([H:48])[H:49])([H:50])[H:51])=[O:11])([H:52])[N:30]([H:71])[C@:15]([C:16](=[O:17])[C:18]([N:19]([H:57])[H:58])([C:20](=[O:21])[C@@:22]([N:23]([H:59])[H:60])([C:24](=[O:25])[O:26][H:61])[C:27]([C:28]([H:62])([H:63])[H:64])([C:29]([H:65])([H:66])[H:67])[H:68])[H:69])([H:70])[C:14]1([H:55])[H:56].[H][O:40][C:38]([C:36]([C:35]([C:34]([C:32](=[O:31])[O:33][H:76])([H:80])[H:81])([H:78])[H:79])=[O:37])=[O:39].[O:41]=[O:42]>>[C:38](=[O:39])=[O:40].[H][O:41][C:13]1([H:53])[C:12]([C:10]([C@:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:43])([H:44])[H:45])[H:72])([N:5]([H:46])[H:47])[C:6](=[O:7])[C:8]([N:9]([H:48])[H:49])([H:50])[H:51])=[O:11])([H:52])[N:30]([H:71])[C@:15]([C:16](=[O:17])[C:18]([N:19]([H:57])[H:58])([C:20](=[O:21])[C@@:22]([N:23]([H:59])[H:60])([C:24](=[O:25])[O:26][H:61])[C:27]([C:28]([H:62])([H:63])[H:64])([C:29]([H:65])([H:66])[H:67])[H:68])[H:69])([H:70])[C:14]1([H:55])[H:56].[H][O:42][C:36]([C:35]([C:34]([C:32](=[O:31])[O:33][H:76])([H:80])[H:81])([H:78])[H:79])=[O:37]