Hydrochloric Acid → Hydrochloric Acid

HRID 1227624Notes

Reaction equation

HRID 1227624 reaction equation
[CH3:26][S:27]([CH3:28])=[O:29].[CH:18]1([CH2:24][NH2:25])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[n:12]([CH2:16][CH3:17])[n:13][c:14]2[CH3:15].[Cl:31][CH2:32][Cl:33].[ClH:30].[OH2:34]>>[ClH:1].[c:2]1([NH:25][CH2:24][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[c:3]2[c:4]([n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[n:12]([CH2:16][CH3:17])[n:13][c:14]2[CH3:15]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 6344DichloromethaneHCID 76688CyclohexanemethylamineHCID 195922341-ethyl-3-methyl-4-chloro-1H-pyrazolo[3,4-b]quinoline

Product 2

HCID 313Hydrochloric AcidHCID 21217725N-(cyclohexylmethyl)-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine

Sources & evidence

ORD record
ord-6bd9f4412e594467a6a43e7f532ef802
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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