Hydrochloric Acid → HCID 86618418, compound

HRID 2150285Notes

Reaction equation

HRID 2150285 reaction equation
[CH3:45][S:46](=[O:47])(=[O:48])[N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([C:11](=[O:12])[OH:13])[o:10]2.[ClH:44].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([C:11](=[O:13])[N:52]1[CH2:51][CH2:50][N:49]([S:46]([CH3:45])(=[O:47])=[O:48])[CH2:54][CH2:53]1)[o:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 7091611-(Methylsulfonyl)piperazineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 86618419HCID 86618419, compound

Product 1

HCID 86618418HCID 86618418, compound

Sources & evidence

ORD record
ord-73f5e798670348a9a03bb60669eb3c6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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