Hydrochloric Acid → HCID 57618264, compound

HRID 688524Notes

Reaction equation

HRID 688524 reaction equation
[B:1]([OH:2])([OH:3])[c:4]1[cH:5][c:6]([F:13])[c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[ClH:47].[ClH:55].[F:48][C:49]1([F:54])[CH2:50][NH:51][CH2:52][CH2:53]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[B:1]([OH:2])([OH:3])[c:4]1[cH:5][c:6]([F:13])[c:7]([C:8](=[O:10])[N:51]2[CH2:50][C:49]([F:48])([F:54])[CH2:53][CH2:52]2)[cH:11][cH:12]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27632014-Carboxy-3-fluorophenylboronic acidHCID 27828273,3-DifluoropyrrolidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 57618264HCID 57618264, compound

Sources & evidence

ORD record
ord-c912f6f1345449a0b5e0b750b5cfe576
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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