5-[3,5-Bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole → 1-({5-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile

HRID 317728

反応式

HRID 317728 の反応式
[CH3:1][CH:2]([CH2:3][c:4]1[nH:5][c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1)[CH3:19].[F:20][C:21]([c:22]1[cH:23][c:24](-[c:32]2[n:33][c:34]([CH2:37][Cl:38])[n:35][o:36]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:39])[F:40]>>[CH3:1][CH:2]([CH2:3][c:4]1[n:5]([CH2:37][c:34]2[n:33][c:32](-[c:24]3[cH:23][c:22]([C:21]([F:20])([F:39])[F:40])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]3)[o:36][n:35]2)[c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1)[CH3:19]

参加物

3

出典と根拠

ORDレコード
ord-20e22c1138de4a63a0d0ce15a74acfb9
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

関連ノート

読み込み中…