EVODEX.1-P6547

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:46]([C:44]([S:43][C:42]([C@@:41]([C:39]([N:38]([C:37]([C:35]([N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([C:23]([C:22]([N:21]([C:19]([C@:8]([C:7]([S:6][C:4]([C:2]([C:1]([H:113])([H:114])[H:115])([O:3][H:59])[H:112])=[O:5])([H:110])[H:111])([N:9]([C:10](=[O:11])[C:12]([C:13]([C@:14]([N:15]([H:60])[H:61])([C:16](=[O:17])[O:18][H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])[H:109])=[O:20])[H:108])([H:106])[H:107])=[O:24])[H:105])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:89])=[O:36])([H:87])[H:88])[H:86])=[O:40])([N:49]([C:50](=[O:51])[C:52]([C:53]([C@:54]([N:55]([H:76])[H:77])([C:56](=[O:57])[O:58][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:74])[H:75])=[O:45])([C:47]([H:69])([H:70])[H:71])[O:48][H]>>[H][S:43][C:42]([C@@:41]([C:39]([N:38]([C:37]([C:35]([N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([C:23]([C:22]([N:21]([C:19]([C@:8]([C:7]([S:6][C:4]([C:2]([C:1]([H:113])([H:114])[H:115])([O:3][H:59])[H:112])=[O:5])([H:110])[H:111])([N:9]([C:10](=[O:11])[C:12]([C:13]([C@:14]([N:15]([H:60])[H:61])([C:16](=[O:17])[O:18][H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])[H:109])=[O:20])[H:108])([H:106])[H:107])=[O:24])[H:105])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:89])=[O:36])([H:87])[H:88])[H:86])=[O:40])([N:49]([C:50](=[O:51])[C:52]([C:53]([C@:54]([N:55]([H:76])[H:77])([C:56](=[O:57])[O:58][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:74])[H:75].[H][C:44](=[O:45])[C:46]([C:47]([H:69])([H:70])[H:71])=[O:48]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E236 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9]-[#16:10]-[#6:11](=[#8:12])-[#6@:13](-[#8:14]-[H])(-[#6:15])-[H]>>[#6:11](=[#8:12])(-[#6:13](=[#8:14])-[#6:15])-[H].[#6:9]-[#16:10]-[H]

EVODEX.1-C758 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@:8](-[#8:9]-[H])-[#6:10]-[#16:12]>>[H]-[#6:10]-[#6:8]=[#8:9].[H]-[#16:12]

EVODEX.1-N965 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:8](-[#6:7])(-[#8:9]-[H])-[#6:10](=[#8:11])-[#16:12]-[#6:13]>>[H]-[#6:10](-[#6:8](-[#6:7])=[#8:9])=[#8:11].[H]-[#16:12]-[#6:13]

EVODEX.1-Em784 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:8](-[#6:7])(-[#8:9]-[H])-[#6:10](=[#8:11])-[#16:12]-[#6:13]>>[H]-[#6:10](-[#6:8](-[#6:7])=[#8:9])=[#8:11].[H]-[#16:12]-[#6:13]

EVODEX.1-Cm310 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:8](-[#8:9]-[H])-[#6:10]-[#16:12]>>[H]-[#6:10]-[#6:8]=[#8:9].[H]-[#16:12]

EVODEX.1-Nm705 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:8](-[#6:7])(-[#8:9]-[H])-[#6:10](=[#8:11])-[#16:12]-[#6:13]>>[H]-[#6:10](-[#6:8](-[#6:7])=[#8:9])=[#8:11].[H]-[#16:12]-[#6:13]

Source Full Reactions

EVODEX.1-R7124

Full Reaction Rendering

[H][C:46]([C:44]([S:43][C:42]([C@@:41]([C:39]([N:38]([C:37]([C:35]([N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([C:23]([C:22]([N:21]([C:19]([C@:8]([C:7]([S:6][C:4]([C:2]([C:1]([H:113])([H:114])[H:115])([O:3][H:59])[H:112])=[O:5])([H:110])[H:111])([N:9]([C:10](=[O:11])[C:12]([C:13]([C@:14]([N:15]([H:60])[H:61])([C:16](=[O:17])[O:18][H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])[H:109])=[O:20])[H:108])([H:106])[H:107])=[O:24])[H:105])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:89])=[O:36])([H:87])[H:88])[H:86])=[O:40])([N:49]([C:50](=[O:51])[C:52]([C:53]([C@:54]([N:55]([H:76])[H:77])([C:56](=[O:57])[O:58][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:74])[H:75])=[O:45])([C:47]([H:69])([H:70])[H:71])[O:48][H]>>[H][S:43][C:42]([C@@:41]([C:39]([N:38]([C:37]([C:35]([N:34]([C:33]([C:32]([C:31]([N:30]([C:29]([C:28]([C:27]([C:26]([N:25]([C:23]([C:22]([N:21]([C:19]([C@:8]([C:7]([S:6][C:4]([C:2]([C:1]([H:113])([H:114])[H:115])([O:3][H:59])[H:112])=[O:5])([H:110])[H:111])([N:9]([C:10](=[O:11])[C:12]([C:13]([C@:14]([N:15]([H:60])[H:61])([C:16](=[O:17])[O:18][H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])[H:109])=[O:20])[H:108])([H:106])[H:107])=[O:24])[H:105])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:89])=[O:36])([H:87])[H:88])[H:86])=[O:40])([N:49]([C:50](=[O:51])[C:52]([C:53]([C@:54]([N:55]([H:76])[H:77])([C:56](=[O:57])[O:58][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])[H:85])([H:74])[H:75].[H][C:44](=[O:45])[C:46]([C:47]([H:69])([H:70])[H:71])=[O:48]