Cvt-2738 → N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-2-oxo-piperazin-1-yl}acetamide

HRID 2337994

반응식

HRID 2337994 반응식
[CH3:16][c:17]1[c:18]([NH:24][C:25]([CH2:26][N:27]2[C:28](=[O:33])[CH2:29][NH:30][CH2:31][CH2:32]2)=[O:34])[c:19]([CH3:23])[cH:20][cH:21][cH:22]1.[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH:13]1[O:14][CH2:15]1)[cH:9][cH:10]2.[CH3:35][c:36]1[cH:37][cH:38][cH:39][c:40]([CH3:41])[c:42]1[NH:43][C:44](=[O:45])[CH2:46][N:47]1[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1>>[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][CH2:12][CH:13]([OH:14])[CH2:15][N:30]1[CH2:29][C:28](=[O:33])[N:27]([CH2:26][C:25]([NH:24][c:18]3[c:17]([CH3:16])[cH:22][cH:21][cH:20][c:19]3[CH3:23])=[O:34])[CH2:32][CH2:31]1)[cH:9][cH:10]2

참가 물질

4

반응물 3

HCID 2608606Cvt-2738HCID 99208722-Methyl-5-(oxiran-2-ylmethoxy)benzothiazoleHCID 22591629N-(2,6-dimethylphenyl)-2-(2-oxopiperazinyl)-acetamide

생성물 1

HCID 10299609N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-2-oxo-piperazin-1-yl}acetamide

출처 및 근거

ORD 기록
ord-145ca5a08a164e318c419535b5ab56e7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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