4-(Chloromethyl)benzoic acid → 4-Chloromethyl-N-(7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-benzamide
반응식
[Cl:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1.[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH2:17])[s:15][c:16]23)[CH2:7]1.[O:31]1[CH2:32][CH:33]([c:34]2[c:35]3[s:36][c:37]([NH:38][C:39]([c:40]4[s:41][c:42]([CH3:43])[cH:44][cH:45]4)=[O:46])[n:47][c:48]3[c:49]([O:50][CH3:51])[cH:52][cH:53]2)[CH2:54][O:55][CH2:56][CH2:57]1>>[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH:17][C:26]([c:25]4[cH:24][cH:23][c:22]([CH2:21][Cl:20])[cH:30][cH:29]4)=[O:27])[s:15][c:16]23)[CH2:7]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-fba22c375f314e8f8499ba4d1e39d2b8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)