Methanol → 2-Amino-1-[6-(3,4-difluoro-phenoxy)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-butan-1-one

반응식

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

참가 물질

반응물 2

HCID 887Methanol

HCID 67608380{1-[6-(3,4-Difluoro-phenoxy)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl]-2,2-dimethyl-propyl}-carbamic acid benzyl ester

생성물 1

HCID 675059372-Amino-1-[6-(3,4-difluoro-phenoxy)-4-pyrimidin-2-yl-hexahydro-pyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-butan-1-one

출처 및 근거

ORD 기록: ord-d9ab803fe16b47199da0742582a6c0ad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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