Water → 5-(3-Chloropropyl)-6,7-dihydro-3-(3-fluorophenyl)-1,2-benzisoxazol-4(5H)-one
반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH:28]([N-:29][CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:36][CH2:37][CH2:38][CH2:39][I:40].[Cl:52][CH2:53][Cl:54].[F:11][c:12]1[cH:13][c:14](-[c:18]2[n:19][o:20][c:21]3[c:22]2[C:23](=[O:27])[CH2:24][CH2:25][CH2:26]3)[cH:15][cH:16][cH:17]1.[F:1][c:2]1[cH:3][c:4]([CH:8]=[N:9][OH:10])[cH:5][cH:6][cH:7]1.[Li+:35].[OH2:55]>>[F:11][c:12]1[cH:13][c:14](-[c:18]2[n:19][o:20][c:21]3[c:22]2[C:23](=[O:27])[CH:24]([CH2:39][CH2:38][CH2:37][Cl:36])[CH2:25][CH2:26]3)[cH:15][cH:16][cH:17]1참가 물질
10
반응물 9
생성물 1
출처 및 근거
- ORD 기록
- ord-063cc63ec230403f93eb8b69993fac6a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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