Acetate → 4-bromo-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-1H-indole-6-carbonitrile

HRID 1122451노트

반응식

HRID 1122451 반응식
[Br:1][c:2]1[c:3]2[cH:4][cH:5][nH:6][c:7]2[cH:8][c:9]([C:11]#[N:12])[cH:10]1.[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][c:21]1[c:22]([F:30])[cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:38][CH2:39][Cl:40].[Cu+2:45]>>[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6](-[c:24]3[cH:23][c:22]([F:30])[c:21]([O:20][CH2:13][c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[cH:26][cH:25]3)[c:7]2[cH:8][c:9]([C:11]#[N:12])[cH:10]1

참가 물질

7

출처 및 근거

ORD 기록
ord-4c1ee330d0d94160845b809c9c743e09
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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