4-Toluenesulfonyl chloride → N-(7-[2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]naphthalen-1-yl)-4-methylbenzenesulfonamide
반응식
[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([O:12][c:13]3[cH:14][cH:15][c:16]4[c:17]([n:18]([CH3:37])[c:19]([CH2:21][O:22][c:23]5[cH:24][cH:25][c:26]([CH2:27][CH:28]6[C:29](=[O:34])[NH:30][C:31](=[O:33])[S:32]6)[cH:35][cH:36]5)[n:20]4)[cH:38]3)[cH:10][c:11]12.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[c:39]1([CH3:49])[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[Cl:48])[cH:43][cH:44]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([O:12][c:13]3[cH:14][cH:15][c:16]4[c:17]([n:18]([CH3:37])[c:19]([CH2:21][O:22][c:23]5[cH:24][cH:25][c:26]([CH2:27][CH:28]6[C:29](=[O:34])[NH:30][C:31](=[O:33])[S:32]6)[cH:35][cH:36]5)[n:20]4)[cH:38]3)[cH:10][c:11]12)[S:45]([c:42]1[cH:41][cH:40][c:39]([CH3:49])[cH:44][cH:43]1)(=[O:46])=[O:47]참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-231e1827afa648caab935f66bfd95ff5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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