Hydrochloric Acid → HCID 20775748, compound

HRID 2336250Notes

Reaction equation

HRID 2336250 reaction equation
[CH3:51][O:52][C:53]([CH2:54][NH2:55])=[O:56].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:50].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[c:1]1(-[c:7]2[cH:8][c:9]([NH:15][S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[c:10]([C:12](=[O:13])[OH:14])[s:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1.[n:57]1[c:58]([CH3:59])[cH:60][c:61]([CH3:62])[cH:63][c:64]1[CH3:65]>>[c:1]1(-[c:7]2[cH:8][c:9]([NH:15][S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[c:10]([C:12](=[O:13])[NH:55][CH2:54][C:53]([O:52][CH3:51])=[O:56])[s:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 79532,4,6-TrimethylpyridineHCID 9886HexafluorophosphateHCID 69221Glycine methyl esterHCID 503523HCID 503523, compoundHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 20775748HCID 20775748, compound

Sources & evidence

ORD record
ord-188edb730e1441fabbc7997dc3a43be1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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