EVODEX.1-P6546

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([C:1]([H:113])([H:114])[H:115])([O:3][H])[C:4](=[O:5])[S:6][C:7]([C@:8]([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])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([C:29]([N:30]([C:31]([C:32]([C:33]([N:34]([C:35](=[O:36])[C:37]([N:38]([C:39](=[O:40])[C@:41]([C:42]([S:43][C:44](=[O:45])[C:46]([C:47]([H:69])([H:70])[H:71])([O:48][H:72])[H:73])([H:74])[H:75])([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: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])[H:105])([H:106])[H:107])[H:108])[H:109])([H:110])[H:111]>>[H][C:4]([C:2]([C:1]([H:113])([H:114])[H:115])=[O:3])=[O:5].[H][S:6][C:7]([C@:8]([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])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([C:29]([N:30]([C:31]([C:32]([C:33]([N:34]([C:35](=[O:36])[C:37]([N:38]([C:39](=[O:40])[C@:41]([C:42]([S:43][C:44](=[O:45])[C:46]([C:47]([H:69])([H:70])[H:71])([O:48][H:72])[H:73])([H:74])[H:75])([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: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])[H:105])([H:106])[H:107])[H:108])[H:109])([H:110])[H:111]

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-R7123

Full Reaction Rendering

[H][C:2]([C:1]([H:113])([H:114])[H:115])([O:3][H])[C:4](=[O:5])[S:6][C:7]([C@:8]([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])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([C:29]([N:30]([C:31]([C:32]([C:33]([N:34]([C:35](=[O:36])[C:37]([N:38]([C:39](=[O:40])[C@:41]([C:42]([S:43][C:44](=[O:45])[C:46]([C:47]([H:69])([H:70])[H:71])([O:48][H:72])[H:73])([H:74])[H:75])([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: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])[H:105])([H:106])[H:107])[H:108])[H:109])([H:110])[H:111]>>[H][C:4]([C:2]([C:1]([H:113])([H:114])[H:115])=[O:3])=[O:5].[H][S:6][C:7]([C@:8]([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])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([C:29]([N:30]([C:31]([C:32]([C:33]([N:34]([C:35](=[O:36])[C:37]([N:38]([C:39](=[O:40])[C@:41]([C:42]([S:43][C:44](=[O:45])[C:46]([C:47]([H:69])([H:70])[H:71])([O:48][H:72])[H:73])([H:74])[H:75])([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: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])[H:105])([H:106])[H:107])[H:108])[H:109])([H:110])[H:111]