EVODEX.1-P1325

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:35]([C:36]([C:37](=[O:38])[N:39]([C@:40]1([H:53])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:54])[O:48][H:55])([H:56])[H:57])([H:58])[C@:49]([O:50][H:59])([H:60])[C@:51]1([O:52][H:61])[H:62])[H:63])([H:64])[H:65])[H:66].[N:1](=[C:2]1:[N:3]([H:68]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:69])[N:9]([H:70])[C:10]([C:11]([N:12]([C:13](=[O:14])[H:71])[C:15]1:[C:16]([H:72]):[C:17]([H:73]):[C:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:74])([H:75])[H:76])([H:77])[H:78])([C:28](=[O:29])[O:30][H:79])[H:80])[H:81]):[C:31]([H:82]):[C:32]:1[H:83])([H:84])[H:85])([H:86])[C:33]([H:87])([H:88])[N:34]2[H:89])[H:90]>>[C:13](=[O:14])([N:35]([C:36]([C:37](=[O:38])[N:39]([C@:40]1([H:53])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:54])[O:48][H:55])([H:56])[H:57])([H:58])[C@:49]([O:50][H:59])([H:60])[C@:51]1([O:52][H:61])[H:62])[H:63])([H:64])[H:65])[H:66])[H:71].[H][N:12]([C:11]([C:10]1([H:86])[N:9]([H:70])[C:5]2:[C:4](:[N:3]([H:68]):[C:2](=[N:1][H:90]):[N:8]([H:69]):[C:6]:2=[O:7])[N:34]([H:89])[C:33]1([H:87])[H:88])([H:84])[H:85])[C:15]1:[C:16]([H:72]):[C:17]([H:73]):[C:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:74])([H:75])[H:76])([H:77])[H:78])([C:28](=[O:29])[O:30][H:79])[H:80])[H:81]):[C:31]([H:82]):[C:32]:1[H:83]

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-R1836

Full Reaction Rendering

[H][N:35]([C:36]([C:37](=[O:38])[N:39]([C@:40]1([H:53])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:54])[O:48][H:55])([H:56])[H:57])([H:58])[C@:49]([O:50][H:59])([H:60])[C@:51]1([O:52][H:61])[H:62])[H:63])([H:64])[H:65])[H:66].[N:1](=[C:2]1:[N:3]([H:68]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:69])[N:9]([H:70])[C:10]([C:11]([N:12]([C:13](=[O:14])[H:71])[C:15]1:[C:16]([H:72]):[C:17]([H:73]):[C:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:74])([H:75])[H:76])([H:77])[H:78])([C:28](=[O:29])[O:30][H:79])[H:80])[H:81]):[C:31]([H:82]):[C:32]:1[H:83])([H:84])[H:85])([H:86])[C:33]([H:87])([H:88])[N:34]2[H:89])[H:90]>>[C:13](=[O:14])([N:35]([C:36]([C:37](=[O:38])[N:39]([C@:40]1([H:53])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:54])[O:48][H:55])([H:56])[H:57])([H:58])[C@:49]([O:50][H:59])([H:60])[C@:51]1([O:52][H:61])[H:62])[H:63])([H:64])[H:65])[H:66])[H:71].[H][N:12]([C:11]([C:10]1([H:86])[N:9]([H:70])[C:5]2:[C:4](:[N:3]([H:68]):[C:2](=[N:1][H:90]):[N:8]([H:69]):[C:6]:2=[O:7])[N:34]([H:89])[C:33]1([H:87])[H:88])([H:84])[H:85])[C:15]1:[C:16]([H:72]):[C:17]([H:73]):[C:18]([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:74])([H:75])[H:76])([H:77])[H:78])([C:28](=[O:29])[O:30][H:79])[H:80])[H:81]):[C:31]([H:82]):[C:32]:1[H:83]