N-(tert-butoxycarbonyl)-2-aminoethanethiol → (2-{2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-ethyl)-carbamic acid tert-butyl ester

HRID 1130096노트

반응식

HRID 1130096 반응식
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[c:12]([C:18](=[O:19])[CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[s:6]1.[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([NH:31][CH2:32][CH2:33][SH:34])=[O:35]>>[c:2]1([S:34][CH2:33][CH2:32][NH:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:35])[cH:3][n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[c:12]([C:18](=[O:19])[CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[s:6]1

참가 물질

3

반응물 2

HCID 3017761N-(tert-butoxycarbonyl)-2-aminoethanethiolHCID 597327971-(5-Bromothiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea

생성물 1

HCID 59732686(2-{2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-ethyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-6e24cee303bf4744b6b8c5405a401603
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

반응 노트

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