Sodium Ion → 4-Chloro-3-cyanomethyl-indole-1-carboxylic acid dimethylamide
반응식
[CH3:16][N:17]([C:18](=[O:19])[Cl:20])[CH3:21].[Cl:1][c:2]1[c:3]2[c:4]([CH2:11][C:12]#[N:13])[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10]1.[H-:14].[Na+:15].[O:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1>>[Cl:1][c:2]1[c:3]2[c:4]([CH2:11][C:12]#[N:13])[cH:5][n:6]([C:18]([N:17]([CH3:16])[CH3:21])=[O:19])[c:7]2[cH:8][cH:9][cH:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-e612ef4c1bb748b998070f621c0305a8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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