Isopropanol → N-(4-(5-(Tetrahydro-2H-pyran-4-YL)pyrimidin-4-yloxy)phenyl)benzo[D]thiazol-2-amine

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 119872-Chlorobenzothiazole

HCID 593268884-(5-(Tetrahydro-2H-pyran-4-YL)pyrimidin-4-yloxy)aniline

생성물 1

HCID 46214719N-(4-(5-(Tetrahydro-2H-pyran-4-YL)pyrimidin-4-yloxy)phenyl)benzo[D]thiazol-2-amine

출처 및 근거

ORD 기록: ord-fac1fc989c64455ba2a6df0695c80f39
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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