Ethanol → [3-Methyl-4-(6-methylamino-pyrimidin-4-yloxy)-phenyl]-carbamic acid benzyl ester

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][c:13]([CH3:25])[c:14]([O:17][c:18]2[n:19][cH:20][n:21][c:22]([Cl:24])[cH:23]2)[cH:15][cH:16]1)=[O:26].[CH3:27][NH2:28].[CH3:29][CH2:30][OH:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][c:13]([CH3:25])[c:14]([O:17][c:18]2[n:19][cH:20][n:21][c:22]([NH:28][CH3:27])[cH:23]2)[cH:15][cH:16]1)=[O:26]

참가 물질

반응물 3

HCID 702Ethanol

HCID 6329Methylamine

HCID 86605454[4-(6-Chloro-pyrimidin-4-yloxy)-3-methyl-phenyl]-carbamic acid benzyl ester

생성물 1

HCID 68537615[3-Methyl-4-(6-methylamino-pyrimidin-4-yloxy)-phenyl]-carbamic acid benzyl ester

출처 및 근거

ORD 기록: ord-954c84463d50405a9721175064ec00f0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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