Carbamate → Methyl 4-bromo-5-[3-[cyclohexyl(phenoxycarbonyl)amino]phenyl]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate
반응식
[CH3:15][O:16][C:17](=[O:18])[c:19]1[s:20][c:21](-[c:34]2[cH:35][c:36]([NH:40][CH:41]3[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]3)[cH:37][cH:38][cH:39]2)[c:22]([Br:33])[c:23]1[O:24][CH2:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[Cl:5][C:6](=[O:7])[O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[NH2:1][C:2](=[O:3])[O-:4]>>[C:6](=[O:7])([O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:40]([c:36]1[cH:35][c:34](-[c:21]2[s:20][c:19]([C:17]([O:16][CH3:15])=[O:18])[c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[c:22]2[Br:33])[cH:39][cH:38][cH:37]1)[CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-36da7136c16844879c919312524031cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)