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Dimethyl Sulfoxide → N-(2-methyl-1,3-benzoxazol-6-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

HRID 2123016
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반응식

HRID 2123016 반응식
[CH3:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([NH:11][C:12]([O:13][CH2:14][C:15]([Cl:16])([Cl:17])[Cl:18])=[O:19])[cH:10]2.[CH3:46][S:47](=[O:48])[CH3:49].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[OH2:50].[c:20]1(-[c:26]2[n:27][c:28]([N:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[s:29][cH:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([NH:11][C:12](=[O:19])[N:34]1[CH2:33][CH2:32][N:31]([c:28]3[n:27][c:26](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:30][s:29]3)[CH2:36][CH2:35]1)[cH:10]2
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반응물 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 7124681-(4-Phenyl-1,3-thiazol-2-yl)piperazineHCID 862451832,2,2-Trichloroethyl (2-methyl-1,3-benzoxazol-6-yl)carbamate

생성물 1

HCID 68778007N-(2-methyl-1,3-benzoxazol-6-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

출처 및 근거

ORD 기록
ord-9f388ccf15754fecb6c57fd525f70483
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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