1,2-Dichloroethane → tert-butyl N-[[4-[3-[1-[3-(3,4-difluorophenyl)prop-2-enoylamino]ethyl]phenyl]morpholin-2-yl]methyl]carbamate
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH:9]1[O:10][CH2:11][CH2:12][N:13]([c:15]2[cH:16][c:17]([CH:21]([CH3:22])[NH2:23])[cH:18][cH:19][cH:20]2)[CH2:14]1)=[O:24].[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[Cl:58][CH2:59][Cl:60].[F:25][c:26]1[cH:27][c:28]([CH:29]=[CH:30][C:31](=[O:32])[OH:33])[cH:34][cH:35][c:36]1[F:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH:9]1[O:10][CH2:11][CH2:12][N:13]([c:15]2[cH:16][c:17]([CH:21]([CH3:22])[NH:23][C:31]([CH:30]=[CH:29][c:28]3[cH:27][c:26]([F:25])[c:36]([F:37])[cH:35][cH:34]3)=[O:32])[cH:18][cH:19][cH:20]2)[CH2:14]1)=[O:24]참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-f44a959aff334e12923f45b470f99dbf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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