EVODEX.1-P5985

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:74])[O:7][C@:6]([N:5]2[C:4]([H:54])([H:55])[N:3]([C:2]([C:1]([H:84])([H:85])[H:86])([H:82])[H:83])[C:52]3:[C:45]2:[N:46]([H:79]):[C:47](=[N:48][H:80]):[N:49]([H:81]):[C:50]:3=[O:51])([H:56])[C:43]([O:44][H:77])([H:78])[C@:41]1([O:42][H:75])[H:76])([H:72])[H:73])(=[O:12])[O:14][P:15](=[O:16])([O:17][H:58])[O:18][P:19](=[O:20])([O:21][H:59])[O:22][C:23]([C@:24]1([H:60])[O:25][C@@:26]([N:27]2:[C:28]([H:61]):[N:29]:[C:30]3:[C:31]([N:32]([H:62])[H:63]):[N:33]:[C:34]([H:64]):[N:35]:[C:36]:2:3)([H:65])[C:37]([O:38][H:66])([H:67])[C@@:39]1([O:40][H:68])[H:69])([H:70])[H:71].[H][O:53][H:87]>>[H][O:14][P:11]([O:10][C:9]([C@@:8]1([H:74])[O:7][C@:6]([N:5]2[C:4]([H:54])([H:55])[N:3]([C:2]([C:1]([H:84])([H:85])[H:86])([H:82])[H:83])[C:52]3:[C:45]2:[N:46]([H:79]):[C:47](=[N:48][H:80]):[N:49]([H:81]):[C:50]:3=[O:51])([H:56])[C:43]([O:44][H:77])([H:78])[C@:41]1([O:42][H:75])[H:76])([H:72])[H:73])(=[O:12])[O:13][P:15](=[O:16])([O:17][H:58])[O:53][H:87].[H][O:18][P:19](=[O:20])([O:21][H:59])[O:22][C:23]([C@:24]1([H:60])[O:25][C@@:26]([N:27]2:[C:28]([H:61]):[N:29]:[C:30]3:[C:31]([N:32]([H:62])[H:63]):[N:33]:[C:34]([H:64]):[N:35]:[C:36]:2:3)([H:65])[C:37]([O:38][H:66])([H:67])[C@@:39]1([O:40][H:68])[H:69])([H:70])[H:71]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E282 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]-[#15:24]-[#8:26]-[H].[#8:32](-[H:49])-[H]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:26]-[#15:24]-[#8:23]-[H])-[#8:32]-[H:49]

EVODEX.1-C718 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])

EVODEX.1-N885 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]-[H:49]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]-[H:49]

EVODEX.1-Em696 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]

EVODEX.1-Cm282 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#8:26].[#8:23]-[#15:20]-[#8:19]).[H]-[#8:32]>>[H]-[#8:19].([H]-[#8:23].[#8:26]-[#15:20]-[#8:32])

EVODEX.1-Nm625 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:26]-[#15:24]-[#8:23]-[#15:20](-[#8:19]-[#15:16])(=[#8:21])-[#8:22].[H]-[#8:32]>>[H]-[#8:19]-[#15:16].[H]-[#8:23]-[#15:24]-[#8:26]-[#15:20](=[#8:21])(-[#8:22])-[#8:32]

Source Full Reactions

EVODEX.1-R6628

Full Reaction Rendering

[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:74])[O:7][C@:6]([N:5]2[C:4]([H:54])([H:55])[N:3]([C:2]([C:1]([H:84])([H:85])[H:86])([H:82])[H:83])[C:52]3:[C:45]2:[N:46]([H:79]):[C:47](=[N:48][H:80]):[N:49]([H:81]):[C:50]:3=[O:51])([H:56])[C:43]([O:44][H:77])([H:78])[C@:41]1([O:42][H:75])[H:76])([H:72])[H:73])(=[O:12])[O:14][P:15](=[O:16])([O:17][H:58])[O:18][P:19](=[O:20])([O:21][H:59])[O:22][C:23]([C@:24]1([H:60])[O:25][C@@:26]([N:27]2:[C:28]([H:61]):[N:29]:[C:30]3:[C:31]([N:32]([H:62])[H:63]):[N:33]:[C:34]([H:64]):[N:35]:[C:36]:2:3)([H:65])[C:37]([O:38][H:66])([H:67])[C@@:39]1([O:40][H:68])[H:69])([H:70])[H:71].[H][O:53][H:87]>>[H][O:14][P:11]([O:10][C:9]([C@@:8]1([H:74])[O:7][C@:6]([N:5]2[C:4]([H:54])([H:55])[N:3]([C:2]([C:1]([H:84])([H:85])[H:86])([H:82])[H:83])[C:52]3:[C:45]2:[N:46]([H:79]):[C:47](=[N:48][H:80]):[N:49]([H:81]):[C:50]:3=[O:51])([H:56])[C:43]([O:44][H:77])([H:78])[C@:41]1([O:42][H:75])[H:76])([H:72])[H:73])(=[O:12])[O:13][P:15](=[O:16])([O:17][H:58])[O:53][H:87].[H][O:18][P:19](=[O:20])([O:21][H:59])[O:22][C:23]([C@:24]1([H:60])[O:25][C@@:26]([N:27]2:[C:28]([H:61]):[N:29]:[C:30]3:[C:31]([N:32]([H:62])[H:63]):[N:33]:[C:34]([H:64]):[N:35]:[C:36]:2:3)([H:65])[C:37]([O:38][H:66])([H:67])[C@@:39]1([O:40][H:68])[H:69])([H:70])[H:71]