EVODEX.1-P6545

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([C:1]([H:104])([H:105])[H:106])([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:55])[H:56])([C:16](=[O:17])[O:18][H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([N:29]([C: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][H:64])([H:65])[H:66])([N:44]([C:45](=[O:46])[C:47]([C:48]([C@:49]([N:50]([H:67])[H:68])([C:51](=[O:52])[O:53][H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76])[H:77])([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][C:4]([C:2]([C:1]([H:104])([H:105])[H:106])=[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:55])[H:56])([C:16](=[O:17])[O:18][H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([N:29]([C: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][H:64])([H:65])[H:66])([N:44]([C:45](=[O:46])[C:47]([C:48]([C@:49]([N:50]([H:67])[H:68])([C:51](=[O:52])[O:53][H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76])[H:77])([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]

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-R7122

Full Reaction Rendering

[H][C:2]([C:1]([H:104])([H:105])[H:106])([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:55])[H:56])([C:16](=[O:17])[O:18][H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([N:29]([C: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][H:64])([H:65])[H:66])([N:44]([C:45](=[O:46])[C:47]([C:48]([C@:49]([N:50]([H:67])[H:68])([C:51](=[O:52])[O:53][H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76])[H:77])([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][C:4]([C:2]([C:1]([H:104])([H:105])[H:106])=[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:55])[H:56])([C:16](=[O:17])[O:18][H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[N:25]([C:26]([C:27]([C:28]([N:29]([C: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][H:64])([H:65])[H:66])([N:44]([C:45](=[O:46])[C:47]([C:48]([C@:49]([N:50]([H:67])[H:68])([C:51](=[O:52])[O:53][H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76])[H:77])([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]