1-Methylpiperazine → N1-(4-{4-amino-1-[2-(4-methylpiperazino)-2-oxoethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenyl)-2,3-dichloro-1-benzenesulfonamide

HRID 1136949Notes

Reaction equation

HRID 1136949 reaction equation
[CH3:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:30][C:31]([O:33][CH2:32][CH3:34])=[O:35])[n:9][c:10]2-[c:11]1[cH:12][c:13]([F:29])[c:14]([NH:17][S:18](=[O:19])(=[O:20])[c:21]2[c:22]([Cl:28])[c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[cH:15][cH:16]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:30][C:31](=[O:33])[N:40]1[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([F:29])[c:14]([NH:17][S:18](=[O:19])(=[O:20])[c:21]2[c:22]([Cl:28])[c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[cH:15][cH:16]1

Participants

3

Reactant 2

HCID 531671-MethylpiperazineHCID 22346920Ethyl 2-[4-amino-3-(4-{[(2,3-dichlorophenyl)sulfonyl]amino}-3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]acetate

Product 1

HCID 22347361N1-(4-{4-amino-1-[2-(4-methylpiperazino)-2-oxoethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenyl)-2,3-dichloro-1-benzenesulfonamide

Sources & evidence

ORD record
ord-1e5522fa6d6e4ef896559ae1bcac11f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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