Water → HCID 57012812, compound

HRID 1572859Notes

Reaction equation

HRID 1572859 reaction equation
[CH3:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH2:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[NH2:19][c:20]1[cH:21][c:22]2[cH:23][n:24][nH:25][c:26]2[cH:27][cH:28]1.[OH2:53].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH2:11])[c:6]([C:7](=[O:9])[NH:19][c:20]2[cH:21][c:22]3[cH:23][n:24][nH:25][c:26]3[cH:27][cH:28]2)[cH:10]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 124762-Amino-5-chlorobenzoic acidHCID 880121H-Indazol-5-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 57012812HCID 57012812, compound

Sources & evidence

ORD record
ord-0d2b550f4406406cbf0e722383760b62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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