Toluene → 2-Chloro-4-(2,4-dimethoxy-benzyl)-7-methyl-3,4-dihydro-benzo[e][1,4]diazepin-5-one

HRID 97467

반응식

HRID 97467 반응식
[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[CH2:7][C:8](=[O:19])[NH:9][c:10]3[c:11]([cH:14][c:15]([CH3:18])[cH:16][cH:17]3)[C:12]2=[O:13])[cH:20][cH:21][c:22]([O:24][CH3:25])[cH:23]1.[CH3:26][N:27]([CH3:28])[c:29]1[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[P:36]([Cl:37])([Cl:38])([Cl:39])=[O:40]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[CH2:7][C:8]([Cl:38])=[N:9][c:10]3[c:11]([cH:14][c:15]([CH3:18])[cH:16][cH:17]3)[C:12]2=[O:13])[cH:20][cH:21][c:22]([O:24][CH3:25])[cH:23]1

참가 물질

5

출처 및 근거

ORD 기록
ord-be2083a521fe4c3db1b93811d3598626
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…