EVODEX.1-P2541

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[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]([C:11]([C:12]([C:13]([H:55])([H:56])[H:57])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60])([H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[H][C:39]([C:38](=[C:36]([C:35]([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([H:102])([H:103])[H:104])[C:27]([H:77])([H:78])[H:79])[H:101])([H:99])[H:100])([H:97])[H:98])[C:32]([H:80])([H:81])[H:82])[H:96])([H:94])[H:95])([H:92])[H:93])[C:37]([H:83])([H:84])[H:85])[H:91])([O:40][P:41](=[O:42])([O:43][H:86])[O:44][P:45](=[O:46])([O:47][H:87])[O:48][H:88])[H:89]>>[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]([C:11]([C@@:12]1([C:13]([H:55])([H:56])[H:57])[C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60])([H:61])[H:62])([H:63])[C@:39]1([C:38](=[C:36]([C:35]([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([H:102])([H:103])[H:104])[C:27]([H:77])([H:78])[H:79])[H:101])([H:99])[H:100])([H:97])[H:98])[C:32]([H:80])([H:81])[H:82])[H:96])([H:94])[H:95])([H:92])[H:93])[C:37]([H:83])([H:84])[H:85])[H:91])[H:89])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[H][O:40][P:41](=[O:42])([O:43][H:86])[O:44][P:45](=[O:46])([O:47][H:87])[O:48][H:88]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E283 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](-[#6:8])=[#6:9](-[#6:10])-[H:68].[#6:38]-[#6:39](-[#8:40]-[#15:41])(-[H:89])-[H]>>[#6:6]-[#6:7]1(-[#6:8])-[#6:9](-[#6:10])(-[H:68])-[#6:39]-1(-[#6:38])-[H:89].[#8:40](-[#15:41])-[H]

EVODEX.1-C395 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:7]=[#6:9].[H]-[#6:39]-[#8:40]>>[#6:7]1-[#6:9]-[#6:39]-1.[H]-[#8:40]

EVODEX.1-N472 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6:7](-[#6:8])=[#6:9](-[#6:10])-[H:68].[H]-[#6:39](-[#6:38])(-[#8:40]-[#15:41])-[H:89]>>[#6:6]-[#6:7]1(-[#6:8])-[#6:9](-[#6:10])(-[H:68])-[#6:39]-1(-[#6:38])-[H:89].[H]-[#8:40]-[#15:41]

EVODEX.1-Em509 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#6:7](-[#6:8])=[#6:9]-[#6:10].[H]-[#6:39](-[#6:38])-[#8:40]-[#15:41]>>[#6:6]-[#6:7]1(-[#6:8])-[#6:9](-[#6:10])-[#6:39]-1-[#6:38].[H]-[#8:40]-[#15:41]

EVODEX.1-Cm244 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:7]=[#6:9].[H]-[#6:39]-[#8:40]>>[#6:7]1-[#6:9]-[#6:39]-1.[H]-[#8:40]

EVODEX.1-Nm460 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#6:7](-[#6:8])=[#6:9]-[#6:10].[H]-[#6:39](-[#6:38])-[#8:40]-[#15:41]>>[#6:6]-[#6:7]1(-[#6:8])-[#6:9](-[#6:10])-[#6:39]-1-[#6:38].[H]-[#8:40]-[#15:41]

Source Full Reactions

EVODEX.1-R3286

Full Reaction Rendering

[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]([C:11]([C:12]([C:13]([H:55])([H:56])[H:57])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60])([H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[H][C:39]([C:38](=[C:36]([C:35]([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([H:102])([H:103])[H:104])[C:27]([H:77])([H:78])[H:79])[H:101])([H:99])[H:100])([H:97])[H:98])[C:32]([H:80])([H:81])[H:82])[H:96])([H:94])[H:95])([H:92])[H:93])[C:37]([H:83])([H:84])[H:85])[H:91])([O:40][P:41](=[O:42])([O:43][H:86])[O:44][P:45](=[O:46])([O:47][H:87])[O:48][H:88])[H:89]>>[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]([C:11]([C@@:12]1([C:13]([H:55])([H:56])[H:57])[C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60])([H:61])[H:62])([H:63])[C@:39]1([C:38](=[C:36]([C:35]([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([H:102])([H:103])[H:104])[C:27]([H:77])([H:78])[H:79])[H:101])([H:99])[H:100])([H:97])[H:98])[C:32]([H:80])([H:81])[H:82])[H:96])([H:94])[H:95])([H:92])[H:93])[C:37]([H:83])([H:84])[H:85])[H:91])[H:89])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[H][O:40][P:41](=[O:42])([O:43][H:86])[O:44][P:45](=[O:46])([O:47][H:87])[O:48][H:88]