Bicarbonate Ion → 5-(2-ureidoethoxy)-7-chloro-1-[2-methoxy-4-(2-chloro-benzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzoazepine
반응식
[C:48](=[O:49])([O-:50])[OH:51].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[F:5][C:6]([F:7])([F:8])[C:9]([OH:10])=[O:11].[NH2:12][CH2:13][CH2:14][O:15][CH:16]1[CH2:17][CH2:18][CH2:19][N:20]([C:28]([c:29]2[c:30]([O:45][CH3:46])[cH:31][c:32]([NH:35][C:36]([c:37]3[c:38]([Cl:43])[cH:39][cH:40][cH:41][cH:42]3)=[O:44])[cH:33][cH:34]2)=[O:47])[c:21]2[c:22]1[cH:23][c:24]([Cl:27])[cH:25][cH:26]2.[Na+:52].[Na:1][O:2][C:3]#[N:4]>>[O:2]=[C:3]([NH2:4])[NH:12][CH2:13][CH2:14][O:15][CH:16]1[CH2:17][CH2:18][CH2:19][N:20]([C:28]([c:29]2[c:30]([O:45][CH3:46])[cH:31][c:32]([NH:35][C:36]([c:37]3[c:38]([Cl:43])[cH:39][cH:40][cH:41][cH:42]3)=[O:44])[cH:33][cH:34]2)=[O:47])[c:21]2[c:22]1[cH:23][c:24]([Cl:27])[cH:25][cH:26]2참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-a7c6ce7ec9a44853ab175185bf221016
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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