Methanol → 3-(1-cyano-1-methylethyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide
반응식
[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[CH3:53][OH:54].[CH:32]1([C:35](=[O:36])[Cl:37])[CH2:33][CH2:34]1.[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]3)=[O:31])[cH:15][cH:16][cH:17]1)[cH:10]2.[Na+:56].[OH-:55].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:18][C:19]([c:20]3[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]3)=[O:31])[cH:15][cH:16][cH:17]1)[cH:10]2)[C:35]([CH:32]1[CH2:33][CH2:34]1)=[O:36]참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-d526dd4142eb433c92906d2f6c0843c4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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