Methanol → (2-Amino-5-cyano-6-phenyl-pyrimidin-4-ylsulfanyl)-acetic acid benzyl ester

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 8786Acetic acid, 2-chloro-, phenylmethyl ester

HCID 178509378HCID 178509378, 화합물

생성물 1

HCID 69783167(2-Amino-5-cyano-6-phenyl-pyrimidin-4-ylsulfanyl)-acetic acid benzyl ester

출처 및 근거

ORD 기록: ord-63538d75571249e1ad1592b5fcb71a0a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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