Toluene → (3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-acetaldehyde
反応式
[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][c:31]2[c:32]([Cl:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[cH:8][cH:9][cH:10]1)=[O:42].[CH3:43][CH:44]([CH2:45][AlH:46][CH2:47][CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[O:2]=[CH:3][CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][c:31]2[c:32]([Cl:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[cH:8][cH:9][cH:10]1参加物
4
出典と根拠
- ORDレコード
- ord-27430b66437c4d739ff27dcabddfcf55
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)