4-(Trifluoromethyl)benzyl isocyanate → N-[3-Methyl-7-(trifluoromethyl)isoquinolin-5-yl]-N'-[4-(trifluoromethyl)benzyl]urea

HRID 145835

反応式

HRID 145835 の反応式
[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[cH:8][c:9]([NH2:12])[c:10]2[cH:11]1.[F:17][C:18]([c:19]1[cH:20][cH:21][c:22]([CH2:23][N:24]=[C:25]=[O:26])[cH:27][cH:28]1)([F:29])[F:30]>>[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[cH:8][c:9]([NH:12][C:25]([NH:24][CH2:23][c:22]3[cH:21][cH:20][c:19]([C:18]([F:17])([F:29])[F:30])[cH:28][cH:27]3)=[O:26])[c:10]2[cH:11]1

参加物

3

出典と根拠

ORDレコード
ord-4a1d4c5aad0045f8a2e741e3b71cced2
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

関連ノート

読み込み中…