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EVODEX.1-P5319

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C@:3]([C:4]([H:56])([H:57])[H:58])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:59])[C:10]([H:60])([H:61])[C:11]([H:62])([H:63])[C:12]([H:64])([H:65])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]([S:19][C:20]([H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:73])[H:74])=[O:28])([H:75])[H:76])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:77])[H:78])=[O:37])([H:79])[H:80])([H:81])[H:82])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:83])[H:84])([C:43]([O:44][H:85])([H:86])[H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])([C:45](=[O:46])[N:47]([C@:48]([C:49](=[O:50])[O:51][H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([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:112].[H][O:55][H:113]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]([S:19][C:20]([H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:73])[H:74])=[O:28])([H:75])[H:76])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:77])[H:78])=[O:37])([H:79])[H:80])([H:81])[H:82])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:83])[H:84])([C:43]([O:44][H:85])([H:86])[H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[O:55][H:113].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:110])([H:111])[H:112])([H:108])[H:109])([C:4]([H:56])([H:57])[H:58])[H:107])([C:45](=[O:46])[N:47]([C@:48]([C:49](=[O:50])[O:51][H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([H:100])([H:101])[H:102])[H:103])[H:104])[H:105])[H:106])[H:95])=[O:8])([H:59])[C:10]([H:60])([H:61])[C:11]([H:62])([H:63])[C:12]1([H:64])[H:65]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E207 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6@@:13].[#8:22](-[H:39])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:22]-[H:39].[#7:4](-[#6:5])(-[#6@@:13])-[H]

EVODEX.1-C610 - Reaction Operator C

Reaction Operator C SMIRKS

([#7:25](-[#6@:14])-[#6:26].[#6@:5]).[H]-[#8:70]>>[#6:26]-[#8:70].([H]-[#7:25]-[#6:14].[#6@@:5])

EVODEX.1-N1399 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:6](-[#6@@:5](-[#6@:3])(-[#6:45])-[H:106])-[#6:7]-[#6@:9](-[H:59])(-[#6:10])-[#7:13](-[#6:12])-[#6:14](=[#8:15])-[#6@:16].[H]-[#8:55]-[H:113]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:55]-[H:113].[H]-[#7:13](-[#6@@:9](-[#6:7]-[#7:6]-[#6@@:5](-[#6@:3])(-[#6:45])-[H:106])(-[H:59])-[#6:10])-[#6:12]

EVODEX.1-Em645 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6:13].[H]-[#8:22]>>[#6:1]-[#6:2](=[#8:3])-[#8:22].[H]-[#7:4](-[#6:5])-[#6:13]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm580 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6:13].[H]-[#8:22]>>[#6:1]-[#6:2](=[#8:3])-[#8:22].[H]-[#7:4](-[#6:5])-[#6:13]

Source Full Reactions

EVODEX.1-R6074

Full Reaction Rendering

[C:1]([C:2]([C@:3]([C:4]([H:56])([H:57])[H:58])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:59])[C:10]([H:60])([H:61])[C:11]([H:62])([H:63])[C:12]([H:64])([H:65])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]([S:19][C:20]([H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:73])[H:74])=[O:28])([H:75])[H:76])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:77])[H:78])=[O:37])([H:79])[H:80])([H:81])[H:82])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:83])[H:84])([C:43]([O:44][H:85])([H:86])[H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[H:95])([C:45](=[O:46])[N:47]([C@:48]([C:49](=[O:50])[O:51][H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([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:112].[H][O:55][H:113]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]([S:19][C:20]([H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([N:21]([C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:73])[H:74])=[O:28])([H:75])[H:76])([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:77])[H:78])=[O:37])([H:79])[H:80])([H:81])[H:82])([N:38]([C:39](=[O:40])[C@@:41]([N:42]([H:83])[H:84])([C:43]([O:44][H:85])([H:86])[H:87])[H:88])[H:89])[H:90])[H:91])[H:92])[H:93])[H:94])[O:55][H:113].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:110])([H:111])[H:112])([H:108])[H:109])([C:4]([H:56])([H:57])[H:58])[H:107])([C:45](=[O:46])[N:47]([C@:48]([C:49](=[O:50])[O:51][H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([H:100])([H:101])[H:102])[H:103])[H:104])[H:105])[H:106])[H:95])=[O:8])([H:59])[C:10]([H:60])([H:61])[C:11]([H:62])([H:63])[C:12]1([H:64])[H:65]