Water → HCID 178526567, compound

HRID 2155532Notes

Reaction equation

HRID 2155532 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:10]2[n:11][c:12](-[c:24]3[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]3)[c:13](-[c:15]3[c:16]4[c:17]([n:18][cH:19][cH:20]3)[nH:21][cH:22][cH:23]4)[cH:14]2)[cH:8][cH:9]1.[OH2:40].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[nH:10]1[n:11][c:12](-[c:24]2[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]2)[c:13](-[c:15]2[c:16]3[c:17]([n:18][cH:19][cH:20]2)[nH:21][cH:22][cH:23]3)[cH:14]1

Participants

4

Reactant 3

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 689992594-[1-{[4-(methyloxy)phenyl]methyl}-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 178526567HCID 178526567, compound

Sources & evidence

ORD record
ord-f868cb761b8c490599e04de7d6216c7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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