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

HRID 690483
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HRID 690483 반응식
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH:41]([CH2:46][OH:47])[CH2:42][NH:43][CH2:44][CH2:45]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:29]([F:30])([F:31])[F:32])[cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]4)[c:17]3[cH:18][cH:19]2)[S:5]1)[CH3:3]>>[C:4]1([N:43]2[CH2:42][CH:41]([CH2:46][OH:47])[N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:45][CH2:44]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:29]([F:30])([F:31])[F:32])[cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]4)[c:17]3[cH:18][cH:19]2)[S:5]1
참가 물질출처 및 근거반응 노트

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3

반응물 2

HCID 11106786tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylateHCID 672405032-Ethylsulfanyl-5-[1-(4-methoxy-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-thiazol-4-one

생성물 1

HCID 772534472-Hydroxymethyl-4-{5-[1-(4-methoxy-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-391df2da9f974ddba1e844a45b86e171
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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