EVODEX.1-P4538

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:43])[C:6]([O:7][C@:8]2([H:44])[O:9][C@@:10]([C:11]([O:12][H:45])([H:46])[H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@@:15]([O:16][H:51])([H:52])[C@:17]2([O:18][H:53])[H:54])([H:55])[C@:19]([O:20][H:56])([H:57])[C@:21]([C:22]([O:23][H:58])([H:59])[H:60])([H:61])[O:24][C@@:25]1([O:26][C:27]1:[C:28]([H:62]):[C:29]([H:63]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:64]):[C:35]:1[H:65])[H:66])[H:67])([H:68])([H:69])[H:70].[H][O:42][C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([H:82])([H:83])[H:84])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:43])[C:6]([O:7][C@:8]2([H:44])[O:9][C@@:10]([C:11]([O:12][H:45])([H:46])[H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@@:15]([O:16][H:51])([H:52])[C@:17]2([O:18][H:53])[H:54])([H:55])[C@:19]([O:20][H:56])([H:57])[C@:21]([C:22]([O:23][H:58])([H:59])[H:60])([H:61])[O:24][C@:25]1([O:42][C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([H:82])([H:83])[H:84])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])[H:66])[H:67])([H:68])([H:69])[H:70].[H][O:26][C:27]1:[C:28]([H:62]):[C:29]([H:63]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:64]):[C:35]:1[H:65]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E212 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:24]-[#6@@:25](-[#6@:5])(-[#8:26]-[#6:27])-[H:70].[#8:36](-[#6:37])-[H]>>[#8:24]-[#6@:25](-[#6@:5])(-[#8:36]-[#6:37])-[H:70].[#8:26](-[#6:27])-[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-N21 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:24]-[#6@@:25](-[#6@:5])(-[#8:26]-[#6:27])-[H:66].[H]-[#8:42]-[#6:41]>>[#8:24]-[#6@:25](-[#6@:5])(-[#8:42]-[#6:41])-[H:66].[H]-[#8:26]-[#6:27]

EVODEX.1-Em44 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

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-Nm47 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]

Source Full Reactions

EVODEX.1-R5373

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:43])[C:6]([O:7][C@:8]2([H:44])[O:9][C@@:10]([C:11]([O:12][H:45])([H:46])[H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@@:15]([O:16][H:51])([H:52])[C@:17]2([O:18][H:53])[H:54])([H:55])[C@:19]([O:20][H:56])([H:57])[C@:21]([C:22]([O:23][H:58])([H:59])[H:60])([H:61])[O:24][C@@:25]1([O:26][C:27]1:[C:28]([H:62]):[C:29]([H:63]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:64]):[C:35]:1[H:65])[H:66])[H:67])([H:68])([H:69])[H:70].[H][O:42][C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([H:82])([H:83])[H:84])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:43])[C:6]([O:7][C@:8]2([H:44])[O:9][C@@:10]([C:11]([O:12][H:45])([H:46])[H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@@:15]([O:16][H:51])([H:52])[C@:17]2([O:18][H:53])[H:54])([H:55])[C@:19]([O:20][H:56])([H:57])[C@:21]([C:22]([O:23][H:58])([H:59])[H:60])([H:61])[O:24][C@:25]1([O:42][C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([H:82])([H:83])[H:84])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])[H:66])[H:67])([H:68])([H:69])[H:70].[H][O:26][C:27]1:[C:28]([H:62]):[C:29]([H:63]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:64]):[C:35]:1[H:65]