EVODEX.1-P2801

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4]([C:2](=[C:1]([H:62])[H:63])[C:3]([H:44])([H:45])[H:46])([C:5]([C:6]([C:7]([C:8]([H:47])([H:48])[H:49])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][P:16](=[O:17])([O:18][H:51])[O:19][H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60].[C:20]([C:21]([C:22]([H:64])([H:65])[H:66])=[C:23]([C:24]([C:25]([C:26]([C:27]([H:67])([H:68])[H:69])=[C:28]([C:29]([C:30]([C:31]([C:32]([H:70])([H:71])[H:72])=[C:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:73])[O:39][P:40](=[O:41])([O:42][H:74])[O:43][H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:44])([H:45])[H:46])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:47])([H:48])[H:49])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][P:16](=[O:17])([O:18][H:51])[O:19][H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60])([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([H:89])([H:90])[H:91])[C:22]([H:64])([H:65])[H:66])[H:88])([H:86])[H:87])([H:84])[H:85])[C:27]([H:67])([H:68])[H:69])[H:83])([H:81])[H:82])([H:79])[H:80])[C:32]([H:70])([H:71])[H:72])[H:78])([H:76])[H:77])([H:62])[H:63].[H][O:35][P:36](=[O:37])([O:38][H:73])[O:39][P:40](=[O:41])([O:42][H:74])[O:43][H:75]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E259 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](=[#6:2]-[#6:4](-[#6:5])(-[H:60])-[H])(-[H:62])-[H:63].[#6:33]-[#6:34](-[#8:35]-[#15:36])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63].[#8:35](-[#15:36])-[H]

EVODEX.1-C392 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:4].[#6:1]).[#6:34]-[#8:35]>>([#6:1]-[#6:34].[#6:4]).[H]-[#8:35]

EVODEX.1-N469 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1](-[H:62])-[H:63])(-[#6:5])-[H:60].[#6:33]-[#6:34](-[#8:35]-[#15:36])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63].[H]-[#8:35]-[#15:36]

EVODEX.1-Em506 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1])-[#6:5].[#6:33]-[#6:34]-[#8:35]-[#15:36]>>[#6:1](-[#6:2]=[#6:4]-[#6:5])-[#6:34]-[#6:33].[H]-[#8:35]-[#15:36]

EVODEX.1-Cm242 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:4].[#6:1]).[#6:34]-[#8:35]>>([#6:1]-[#6:34].[#6:4]).[H]-[#8:35]

EVODEX.1-Nm457 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:4](-[#6:2]=[#6:1])-[#6:5].[#6:33]-[#6:34]-[#8:35]-[#15:36]>>[#6:1](-[#6:2]=[#6:4]-[#6:5])-[#6:34]-[#6:33].[H]-[#8:35]-[#15:36]

Source Full Reactions

EVODEX.1-R3499

Full Reaction Rendering

[H][C:4]([C:2](=[C:1]([H:62])[H:63])[C:3]([H:44])([H:45])[H:46])([C:5]([C:6]([C:7]([C:8]([H:47])([H:48])[H:49])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][P:16](=[O:17])([O:18][H:51])[O:19][H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60].[C:20]([C:21]([C:22]([H:64])([H:65])[H:66])=[C:23]([C:24]([C:25]([C:26]([C:27]([H:67])([H:68])[H:69])=[C:28]([C:29]([C:30]([C:31]([C:32]([H:70])([H:71])[H:72])=[C:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:73])[O:39][P:40](=[O:41])([O:42][H:74])[O:43][H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:44])([H:45])[H:46])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:47])([H:48])[H:49])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][P:16](=[O:17])([O:18][H:51])[O:19][H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:60])([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([H:89])([H:90])[H:91])[C:22]([H:64])([H:65])[H:66])[H:88])([H:86])[H:87])([H:84])[H:85])[C:27]([H:67])([H:68])[H:69])[H:83])([H:81])[H:82])([H:79])[H:80])[C:32]([H:70])([H:71])[H:72])[H:78])([H:76])[H:77])([H:62])[H:63].[H][O:35][P:36](=[O:37])([O:38][H:73])[O:39][P:40](=[O:41])([O:42][H:74])[O:43][H:75]