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

반응식

[CH2:36]1[CH2:37][O:38][CH2:39][CH2:40][NH:41]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:32])[O:33][CH2:34][CH3:35])[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:32])[N:41]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]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

참가 물질

반응물 2

HCID 8083Morpholine

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

생성물 1

HCID 22346706N1-{4-[4-amino-1-(2-morpholino-2-oxoethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl}-2,3-dichloro-1-benzenesulfonamide

출처 및 근거

ORD 기록: ord-6485f45179a54adf8dceee8a2c5f7762
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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