EVODEX.1-P1328

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E219 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:11]-[#7:12](-[#6:13](=[#8:14])-[H:114])-[#6@:15].[#7:56](-[#6:57])(-[H:196])-[H]>>[#6:11]-[#7:12](-[H])-[#6@:15].[#6:13](=[#8:14])(-[#7:56](-[#6:57])-[H:196])-[H:114]

EVODEX.1-C13 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-N284 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:92](-[#6:91])-[H:104].[#6:11]-[#7:12](-[#6:13](=[#8:14])-[H:110])-[#6:15]>>[#6:13](=[#8:14])(-[#7:92](-[#6:91])-[H:104])-[H:110].[H]-[#7:12](-[#6:11])-[#6:15]

EVODEX.1-Em407 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:92]-[#6:91].[#6:11]-[#7:12](-[#6:13]=[#8:14])-[#6:15]>>[#6:13](=[#8:14])-[#7:92]-[#6:91].[H]-[#7:12](-[#6:11])-[#6:15]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm367 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:92]-[#6:91].[#6:11]-[#7:12](-[#6:13]=[#8:14])-[#6:15]>>[#6:13](=[#8:14])-[#7:92]-[#6:91].[H]-[#7:12](-[#6:11])-[#6:15]

Source Full Reactions

EVODEX.1-R1842

Full Reaction Rendering

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