Dichloromethane → Methanesulfonic Acid

HRID 2123649Notes

Reaction equation

HRID 2123649 reaction equation
[CH3:50][S:51]([OH:52])(=[O:53])=[O:54].[Cl:55][CH2:56][Cl:57].[F:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][CH:9]([O:12][c:13]3[n:14][cH:15][c:16]([NH:23][C:24](=[O:25])[NH:26][c:27]4[n:28](-[c:38]5[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]5)[n:29][c:30]([C:32]([CH2:33][F:34])([CH3:35])[CH2:36][F:37])[cH:31]4)[c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]34)[CH2:10][CH2:11]2)[c:45]([F:49])[cH:46][cH:47][cH:48]1>>[CH3:50][S:51](=[O:52])(=[O:53])[OH:54].[F:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][CH:9]([O:12][c:13]3[n:14][cH:15][c:16]([NH:23][C:24](=[O:25])[NH:26][c:27]4[n:28](-[c:38]5[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]5)[n:29][c:30]([C:32]([CH2:33][F:34])([CH3:35])[CH2:36][F:37])[cH:31]4)[c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]34)[CH2:10][CH2:11]2)[c:45]([F:49])[cH:46][cH:47][cH:48]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 690550751-{1-[1-(2,6-Difluoro-benzoyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea

Product 2

HCID 6395Methanesulfonic AcidHCID 690550751-{1-[1-(2,6-Difluoro-benzoyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea

Sources & evidence

ORD record
ord-a2071660b2834ceda3d6f7d39ecf73b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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