EVODEX.1-P2599

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4]([C:2](=[C:1]([H:67])[H:68])[C:3]([H:49])([H:50])[H:51])([C:5]([C:6]([C:7]([C:8]([H:52])([H:53])[H:54])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:55])[O:15][P:16](=[O:17])([O:18][H:56])[O:19][H:57])([H:58])[H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65].[C:20]([C:21]([C:22]([H:69])([H:70])[H:71])=[C:23]([C:24]([C:25]([C:26]([C:27]([H:72])([H:73])[H:74])=[C:28]([C:29]([C:30]([C:31]([C:32]([H:75])([H:76])[H:77])=[C:33]([C:34]([C:35]([C:36]([C:37]([H:78])([H:79])[H:80])=[C:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:81])[O:44][P:45](=[O:46])([O:47][H:82])[O:48][H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])([H:103])[H:104]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:52])([H:53])[H:54])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:55])[O:15][P:16](=[O:17])([O:18][H:56])[O:19][H:57])([H:58])[H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([C:39]([C:38](=[C:36]([C:35]([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:102])([H:103])[H:104])[C:22]([H:69])([H:70])[H:71])[H:101])([H:99])[H:100])([H:97])[H:98])[C:27]([H:72])([H:73])[H:74])[H:96])([H:94])[H:95])([H:92])[H:93])[C:32]([H:75])([H:76])[H:77])[H:91])([H:89])[H:90])([H:87])[H:88])[C:37]([H:78])([H:79])[H:80])[H:86])([H:84])[H:85])([H:67])[H:68].[H][O:40][P:41](=[O:42])([O:43][H:81])[O:44][P:45](=[O:46])([O:47][H:82])[O:48][H:83]

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-R3336

Full Reaction Rendering

[H][C:4]([C:2](=[C:1]([H:67])[H:68])[C:3]([H:49])([H:50])[H:51])([C:5]([C:6]([C:7]([C:8]([H:52])([H:53])[H:54])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:55])[O:15][P:16](=[O:17])([O:18][H:56])[O:19][H:57])([H:58])[H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65].[C:20]([C:21]([C:22]([H:69])([H:70])[H:71])=[C:23]([C:24]([C:25]([C:26]([C:27]([H:72])([H:73])[H:74])=[C:28]([C:29]([C:30]([C:31]([C:32]([H:75])([H:76])[H:77])=[C:33]([C:34]([C:35]([C:36]([C:37]([H:78])([H:79])[H:80])=[C:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:81])[O:44][P:45](=[O:46])([O:47][H:82])[O:48][H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])([H:103])[H:104]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:52])([H:53])[H:54])=[C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:55])[O:15][P:16](=[O:17])([O:18][H:56])[O:19][H:57])([H:58])[H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([C:39]([C:38](=[C:36]([C:35]([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:102])([H:103])[H:104])[C:22]([H:69])([H:70])[H:71])[H:101])([H:99])[H:100])([H:97])[H:98])[C:27]([H:72])([H:73])[H:74])[H:96])([H:94])[H:95])([H:92])[H:93])[C:32]([H:75])([H:76])[H:77])[H:91])([H:89])[H:90])([H:87])[H:88])[C:37]([H:78])([H:79])[H:80])[H:86])([H:84])[H:85])([H:67])[H:68].[H][O:40][P:41](=[O:42])([O:43][H:81])[O:44][P:45](=[O:46])([O:47][H:82])[O:48][H:83]