2-Amino-1-phenyl-1,3-propanediol → 1-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]-3-(1,3-dihydroxy-1-phenylpropan-2-yl)thiourea

반응식

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

참가 물질

반응물 2

HCID 1029712-Amino-1-phenyl-1,3-propanediol

HCID 225684385-(5,6-difluoro-1H-indol-2-yl)-2-methoxy-phenyl isothiocyanate

생성물 1

HCID 225684201-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]-3-(1,3-dihydroxy-1-phenylpropan-2-yl)thiourea

출처 및 근거

ORD 기록: ord-1c34a0be292e4f28813e2b472c557e86
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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