3,5-Bis-trifluoromethylphenylboronic acid → 1-({2-[3,5-bis(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

HRID 137750

반응식

HRID 137750 반응식
[Br:1][c:2]1[s:3][cH:4][c:5]([CH2:7][n:8]2[c:9]([CH3:23])[cH:10][c:11]3[c:12]([C:19]([F:20])([F:21])[F:22])[c:13]([C:17]#[N:18])[cH:14][cH:15][c:16]23)[n:6]1.[F:24][C:25]([c:26]1[cH:27][c:28]([B:36]([OH:37])[OH:38])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:39])[F:40]>>[c:2]1(-[c:28]2[cH:27][c:26]([C:25]([F:24])([F:39])[F:40])[cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29]2)[s:3][cH:4][c:5]([CH2:7][n:8]2[c:9]([CH3:23])[cH:10][c:11]3[c:12]([C:19]([F:20])([F:21])[F:22])[c:13]([C:17]#[N:18])[cH:14][cH:15][c:16]23)[n:6]1

참가 물질

3

반응물 2

HCID 1562653,5-Bis-trifluoromethylphenylboronic acidHCID 67404358HCID 67404358, 화합물

생성물 1

HCID 866206981-({2-[3,5-bis(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

출처 및 근거

ORD 기록
ord-fa37424c15e54f35ad8a0bf1540cf1dd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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