EVODEX.1-P2694

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][S:40][C:39]([C@@:37]([C:35]([N:34]([C:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:100])([H:101])[H:102])([H:98])[H:99])([C:28]([H:77])([H:78])[H:79])[H:97])([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])[H:96])[H:89])=[O:32])([H:87])[H:88])[H:86])=[O:36])([N:38]([H:80])[H:81])[H:85])([H:83])[H:84]>>[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]([S:40][C:39]([C@@:37]([C:35]([N:34]([C:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:100])([H:101])[H:102])([H:98])[H:99])([C:28]([H:77])([H:78])[H:79])[H:97])([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])[H:96])[H:89])=[O:32])([H:87])[H:88])[H:86])=[O:36])([N:38]([H:80])[H:81])[H:85])([H:83])[H:84])([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][O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E87 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:94])-[H:95].([#6:31]-[#6@:33](-[#7:34])(-[#6:76])-[H:156].[#6:74]-[#16:75]-[H])>>([#6:19]-[#6:20](-[#16:75]-[#6:74])(-[H:94])-[H:95].[#7:34]-[#6@@:33](-[#6:31])(-[#6:76])-[H:156]).[#8:21](-[#15:22])-[H]

EVODEX.1-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N4 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:90])-[H:91].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20](-[#16:44]-[#6:43])(-[H:90])-[H:91].[H]-[#8:21]-[#15:22]

EVODEX.1-Em37 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm41 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

Source Full Reactions

EVODEX.1-R3421

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][S:40][C:39]([C@@:37]([C:35]([N:34]([C:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:100])([H:101])[H:102])([H:98])[H:99])([C:28]([H:77])([H:78])[H:79])[H:97])([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])[H:96])[H:89])=[O:32])([H:87])[H:88])[H:86])=[O:36])([N:38]([H:80])[H:81])[H:85])([H:83])[H:84]>>[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]([S:40][C:39]([C@@:37]([C:35]([N:34]([C:33]([C:31]([N:30]([C@@:29]([C@:27]([C:26]([C:25]([H:100])([H:101])[H:102])([H:98])[H:99])([C:28]([H:77])([H:78])[H:79])[H:97])([C:41](=[O:42])[N:43]([C@@:44]([C:45]([H:90])([H:91])[H:92])([C:46](=[O:47])[O:48][H:93])[H:94])[H:95])[H:96])[H:89])=[O:32])([H:87])[H:88])[H:86])=[O:36])([N:38]([H:80])[H:81])[H:85])([H:83])[H:84])([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][O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60]