EVODEX.1-P1333

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R1851

Full Reaction Rendering

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