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tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate → 2-Hydroxymethyl-4-{5-[1-(4-hydroxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 1542591
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반응식

HRID 1542591 반응식
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH:40]([CH2:45][OH:46])[CH2:41][NH:42][CH2:43][CH2:44]1.[CH2:1]([S:2][C:4]1=[N:8][C:7](=[O:9])[C:6](=[CH:10][c:11]2[cH:12][c:13]3[cH:14][n:15][n:16]([CH2:20][c:21]4[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][c:24]([OH:27])[cH:25][cH:26]4)[c:17]3[cH:18][cH:19]2)[S:5]1)[CH3:3]>>[C:4]1([N:42]2[CH2:41][CH:40]([CH2:45][OH:46])[N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:44][CH2:43]2)=[N:8][C:7](=[O:9])[C:6](=[CH:10][c:11]2[cH:12][c:13]3[cH:14][n:15][n:16]([CH2:20][c:21]4[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][c:24]([OH:27])[cH:25][cH:26]4)[c:17]3[cH:18][cH:19]2)[S:5]1
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 11106786tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylateHCID 672415782-Ethylsulfanyl-5-[1-(4-hydroxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-thiazol-4-one

생성물 1

HCID 772532392-Hydroxymethyl-4-{5-[1-(4-hydroxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-45d531e3455f4140bd83dd00c0254305
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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