Methanol → 3-(2,4-Bis(diethylamino)phenyl)-3-(4-(diethylamino)-phenyl)-4,5,6,7-tetrachlorophthalide
반응식
[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[c:10]2[c:11]([C:12](=[O:13])[OH:14])[c:15]([Cl:22])[c:16]([Cl:21])[c:17]([Cl:20])[c:18]2[Cl:19])[cH:23][cH:24]1)[CH2:25][CH3:26].[CH2:27]([CH3:28])[N:29]([c:30]1[cH:31][c:32]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[cH:33][cH:34][cH:35]1)[CH2:41][CH3:42].[CH3:43][C:44]([O:45][C:46](=[O:47])[CH3:48])=[O:49].[CH3:50][OH:51]>>[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][cH:6][c:7]([C:8]2([c:33]3[c:32]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[cH:31][c:30]([N:29]([CH2:27][CH3:28])[CH2:41][CH3:42])[cH:35][cH:34]3)[c:10]3[c:11]([c:15]([Cl:22])[c:16]([Cl:21])[c:17]([Cl:20])[c:18]3[Cl:19])[C:12](=[O:13])[O:14]2)[cH:23][cH:24]1)[CH2:25][CH3:26]참가 물질
5
출처 및 근거
- ORD 기록
- ord-2b1988a237204483b7a4470b6d97785d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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