Chloride → 3,3-dimethyl-4-methoxycarbonyl-butanoic acid N-(2'-cyanobiphenyl-4-ylmethyl)-N-propyl-amide

HRID 664577

반응식

HRID 664577 반응식
[C:8](#[N:9])[c:10]1[c:11](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][NH:23][CH2:24][CH2:25][CH3:26])[cH:20][cH:21]2)[cH:12][cH:13][cH:14][cH:15]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:28][O:29][C:30]([CH2:31][C:32]([CH2:33][C:34](=[O:35])[OH:36])([CH3:37])[CH3:38])=[O:39].[Cl-:27].[Cl:40][CH2:41][Cl:42]>>[C:8](#[N:9])[c:10]1[c:11](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([CH2:24][CH2:25][CH3:26])[C:34]([CH2:33][C:32]([CH2:31][C:30]([O:29][CH3:28])=[O:39])([CH3:37])[CH3:38])=[O:36])[cH:20][cH:21]2)[cH:12][cH:13][cH:14][cH:15]1

참가 물질

6

출처 및 근거

ORD 기록
ord-90fd1cf4014241f18ee5aaf54cca69e6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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