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EVODEX.1-P3426

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E289 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:76]-[#6@:75](-[#6@@:57])(-[#8:77]-[H])-[H:190].[#15:100]-[#8:103]-[#15:104](=[#8:105])(-[#8:106])-[#8:107]>>[#6:75](-[#6@@:57])(-[#6:76])(-[#8:77]-[#15:104](=[#8:105])(-[#8:106])-[#8:107])-[H:190].[#15:100]-[#8:103]-[H]

EVODEX.1-C22 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:10]-[#15:11].[#6@:15]-[#6@:17]).[H]-[#8:35]>>([H]-[#8:10].[#6@@:17]-[#6@@:15]).[#15:11]-[#8:35]

EVODEX.1-N13 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23].[#8:29]-[#6@@:28](-[#6@@:13])(-[H:74])-[#6@:30](-[#6@:11])(-[#8:31])-[H:76]).[H]-[#8:60]-[#6@:59]>>([H]-[#8:19]-[#15:16].[#8:31]-[#6@:30](-[#6@:11])(-[H:76])-[#6@@:28](-[#6@@:13])(-[#8:29])-[H:74]).[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8:60]-[#6@:59]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R4104

Full Reaction Rendering

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