Water → HCID 69292386, compound

HRID 1222266Notes

Reaction equation

HRID 1222266 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[c:3]([N:10]2[c:11]3[c:12]([c:16]([C:20]([CH2:21][CH2:22][CH3:23])([CH2:24][CH2:25][CH3:26])[OH:27])[n:17]([CH3:19])[n:18]3)[CH2:13][CH2:14][CH2:15]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[OH2:28].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[Cl:1][c:2]1[c:3]([N:10]2[c:11]3[c:12]([c:16]([C:20](=[CH:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH3:26])[n:17]([CH3:19])[n:18]3)[CH2:13][CH2:14][CH2:15]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 101728344-[7-(2-Chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]heptan-4-ol

Product 1

HCID 69292386HCID 69292386, compound

Sources & evidence

ORD record
ord-007a29156d3e41ddb29d5482a9d0fd9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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