Water → N-[2-bromo-4-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-(nitromethyl) butanoyl]phenylmethyl]phthalimide

HRID 208728노트

반응식

HRID 208728 반응식
[Br:1][c:2]1[c:3]([CH2:24][N:25]2[C:26](=[O:35])[c:27]3[c:28]([cH:31][cH:32][cH:33][cH:34]3)[C:29]2=[O:30])[cH:4][cH:5][c:6]([C:8]([CH:9]=[C:10]([C:11]([F:12])([F:13])[F:14])[c:15]2[cH:16][c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]2)=[O:23])[cH:7]1.[CH3:41][C:42]#[N:43].[N+:36](=[O:37])([O-:38])[CH3:39].[OH2:40]>>[Br:1][c:2]1[c:3]([CH2:24][N:25]2[C:26](=[O:35])[c:27]3[c:28]([cH:31][cH:32][cH:33][cH:34]3)[C:29]2=[O:30])[cH:4][cH:5][c:6]([C:8]([CH2:9][C:10]([C:11]([F:12])([F:13])[F:14])([c:15]2[cH:16][c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]2)[CH2:39][N+:36](=[O:37])[O-:38])=[O:23])[cH:7]1

참가 물질

5

출처 및 근거

ORD 기록
ord-443e1f2c6e7f4d7db7a1311659d99b6f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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