Acetic Acid → 6-Chloro-4-(2-{4-[(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-1,2,4-benzotriazin-3(4H)-one 1-oxide
반응식
[C:35]([O:36][BH3-:37])(=[O:38])[CH3:39].[CH3:41][OH:42].[CH3:46][C:47](=[O:48])[OH:49].[Cl:43][CH2:44][Cl:45].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[n:12][n+:13]([O-:21])[c:14]3[c:15]2[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1.[Na+:40].[O:23]1[CH2:24][CH2:25][O:26][c:27]2[cH:28][n:29][c:30]([CH:33]=[O:34])[cH:31][c:32]21>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[n:12][n+:13]([O-:21])[c:14]3[c:15]2[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1)[CH2:33][c:30]1[n:29][cH:28][c:27]2[c:32]([cH:31]1)[O:23][CH2:24][CH2:25][O:26]2참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-2dc1d2d0ea2b4a75993e998b2e0dc199
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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