EVODEX.1-P2302

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]([O:3][H:51])[C@@:4]1([H:52])[O:5][C@@:6]([O:7][P:8](=[O:9])([O:10][H:53])[O:11][P:12](=[O:13])([O:14][H:54])[O:15][C:16]([C@@:17]2([H:55])[O:18][C@:19]([N:20]3:[C:21]([H:56]):[C:22]([H:57]):[C:23](=[O:24]):[N:25]([H:58]):[C:26]:3=[O:27])([H:59])[C@@:28]([O:29][H:60])([H:61])[C@@:30]2([O:31][H:62])[H:63])([H:64])[H:65])([H:66])[C@@:32]([O:33][H:67])([H:68])[C@:34]([O:35][H:69])([H:70])[C@@:36]1([O:37][H:71])[H:72].[H][O:48][C:47]1:[C:46]([H:76]):[C:45]([H:75]):[C:44]2:[N:43]([H:74]):[C:42]([H:73]):[C:41]([C:40]([C:39]([O:38][H:83])([H:81])[H:82])([H:79])[H:80]):[C:50]:2:[C:49]:1[H:78]>>[O:1]=[C:2]([O:3][H:51])[C@@:4]1([H:52])[O:5][C@:6]([O:48][C:47]2:[C:46]([H:76]):[C:45]([H:75]):[C:44]3:[N:43]([H:74]):[C:42]([H:73]):[C:41]([C:40]([C:39]([O:38][H:83])([H:81])[H:82])([H:79])[H:80]):[C:50]:3:[C:49]:2[H:78])([H:66])[C@@:32]([O:33][H:67])([H:68])[C@:34]([O:35][H:69])([H:70])[C@@:36]1([O:37][H:71])[H:72].[H][O:7][P:8](=[O:9])([O:10][H:53])[O:11][P:12](=[O:13])([O:14][H:54])[O:15][C:16]([C@@:17]1([H:55])[O:18][C@:19]([N:20]2:[C:21]([H:56]):[C:22]([H:57]):[C:23](=[O:24]):[N:25]([H:58]):[C:26]:2=[O:27])([H:59])[C@@:28]([O:29][H:60])([H:61])[C@@:30]1([O:31][H:62])[H:63])([H:64])[H:65]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E204 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:10]-[#8:11]-[H].[#15:38]-[#8:41]-[#6@@:42](-[H:75])(-[#8:43])-[#6@:49]>>[#6:10]-[#8:11]-[#6@:42](-[H:75])(-[#8:43])-[#6@:49].[#15:38]-[#8:41]-[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-N7 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#15:8].[H]-[#8:78]-[#6@:77]>>[#8:78](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#6@:77].[H]-[#8:7]-[#15:8]

EVODEX.1-Em20 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

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-Nm20 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

Source Full Reactions

EVODEX.1-R3029

Full Reaction Rendering

[O:1]=[C:2]([O:3][H:51])[C@@:4]1([H:52])[O:5][C@@:6]([O:7][P:8](=[O:9])([O:10][H:53])[O:11][P:12](=[O:13])([O:14][H:54])[O:15][C:16]([C@@:17]2([H:55])[O:18][C@:19]([N:20]3:[C:21]([H:56]):[C:22]([H:57]):[C:23](=[O:24]):[N:25]([H:58]):[C:26]:3=[O:27])([H:59])[C@@:28]([O:29][H:60])([H:61])[C@@:30]2([O:31][H:62])[H:63])([H:64])[H:65])([H:66])[C@@:32]([O:33][H:67])([H:68])[C@:34]([O:35][H:69])([H:70])[C@@:36]1([O:37][H:71])[H:72].[H][O:48][C:47]1:[C:46]([H:76]):[C:45]([H:75]):[C:44]2:[N:43]([H:74]):[C:42]([H:73]):[C:41]([C:40]([C:39]([O:38][H:83])([H:81])[H:82])([H:79])[H:80]):[C:50]:2:[C:49]:1[H:78]>>[O:1]=[C:2]([O:3][H:51])[C@@:4]1([H:52])[O:5][C@:6]([O:48][C:47]2:[C:46]([H:76]):[C:45]([H:75]):[C:44]3:[N:43]([H:74]):[C:42]([H:73]):[C:41]([C:40]([C:39]([O:38][H:83])([H:81])[H:82])([H:79])[H:80]):[C:50]:3:[C:49]:2[H:78])([H:66])[C@@:32]([O:33][H:67])([H:68])[C@:34]([O:35][H:69])([H:70])[C@@:36]1([O:37][H:71])[H:72].[H][O:7][P:8](=[O:9])([O:10][H:53])[O:11][P:12](=[O:13])([O:14][H:54])[O:15][C:16]([C@@:17]1([H:55])[O:18][C@:19]([N:20]2:[C:21]([H:56]):[C:22]([H:57]):[C:23](=[O:24]):[N:25]([H:58]):[C:26]:2=[O:27])([H:59])[C@@:28]([O:29][H:60])([H:61])[C@@:30]1([O:31][H:62])[H:63])([H:64])[H:65]