Dichloromethane → Methanesulfonic Acid

HRID 89072Notes

Reaction equation

HRID 89072 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][n:23][c:24]([N:31]3[CH2:32][CH2:33][N:34]([C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:35][CH2:36]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:43][S:44]([OH:45])(=[O:46])=[O:47].[Cl:48][CH2:49][Cl:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][n:23][c:24]([N:31]3[CH2:32][CH2:33][N:34]([C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:35][CH2:36]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:43][S:44](=[O:45])(=[O:46])[OH:47]

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 690526291-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{1-[4-(2,2-dimethyl-propionyl)-piperazin-1-yl]-isoquinolin-4-yl}-urea

Product 2

HCID 6395Methanesulfonic AcidHCID 690526291-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{1-[4-(2,2-dimethyl-propionyl)-piperazin-1-yl]-isoquinolin-4-yl}-urea

Sources & evidence

ORD record
ord-584db1ca876e4a0a918239fc39e6bd4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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