Dichloromethane → Methanesulfonic Acid

HRID 675218Notes

Reaction equation

HRID 675218 reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[Cl:50][CH2:51][Cl:52].[F:6][CH2:7][C:8]1([c:11]2[cH:12][c:13]([NH:23][C:24](=[O:25])[NH:26][c:27]3[cH:28][n:29][c:30]([O:37][CH:38]4[CH2:39][CH2:40][N:41]([C:44](=[O:45])[C:46]5([CH3:49])[CH2:47][CH2:48]5)[CH2:42][CH2:43]4)[c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]34)[n:14](-[c:16]3[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]3)[n:15]2)[CH2:9][CH2:10]1>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[F:6][CH2:7][C:8]1([c:11]2[cH:12][c:13]([NH:23][C:24](=[O:25])[NH:26][c:27]3[cH:28][n:29][c:30]([O:37][CH:38]4[CH2:39][CH2:40][N:41]([C:44](=[O:45])[C:46]5([CH3:49])[CH2:47][CH2:48]5)[CH2:42][CH2:43]4)[c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]34)[n:14](-[c:16]3[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]3)[n:15]2)[CH2:9][CH2:10]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 578328051-[5-(1-fluoromethyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-3-{1-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-urea

Product 2

HCID 6395Methanesulfonic AcidHCID 578328051-[5-(1-fluoromethyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-3-{1-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-urea

Sources & evidence

ORD record
ord-07e5a10e7ae64e7eb2b51ea463f0f7ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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