Water → 2-[4-amino-3-(3-methoxy-4-{[(1-methyl-1H-2-indolyl)carbonyl]amino}phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl methanesulfonate

HRID 139863Notes

Reaction equation

HRID 139863 reaction equation
[CH3:41][S:42]([Cl:43])(=[O:44])=[O:45].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:32][CH2:33][OH:34])[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:29])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:15][cH:16]1.[OH2:46].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:32][CH2:33][O:34][S:42]([CH3:41])(=[O:44])=[O:45])[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:29])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:15][cH:16]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 31297Methanesulfonyl chlorideHCID 22346971N2-{4-[4-amino-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-1-methyl-1H-2-indolecarboxamide

Product 1

HCID 223468312-[4-amino-3-(3-methoxy-4-{[(1-methyl-1H-2-indolyl)carbonyl]amino}phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl methanesulfonate

Sources & evidence

ORD record
ord-038ac434a89849ddbee193d5605faf92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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