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

HRID 207225

반응식

HRID 207225 반응식
[F:16][C:17]([c:18]1[cH:19][cH:20][c:21]([CH2:22][N:23]=[C:24]=[O:25])[cH:26][cH:27]1)([F:28])[F:29].[F:1][C:2]([c:3]1[n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([NH2:13])[c:11]2[cH:12]1)([F:14])[F:15]>>[F:1][C:2]([c:3]1[n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([NH:13][C:24]([NH:23][CH2:22][c:21]3[cH:20][cH:19][c:18]([C:17]([F:16])([F:28])[F:29])[cH:27][cH:26]3)=[O:25])[c:11]2[cH:12]1)([F:14])[F:15]

참가 물질

3

반응물 2

HCID 223376994-(Trifluoromethyl)benzyl isocyanateHCID 695233293-(Trifluoromethyl)isoquinolin-5-amine

생성물 1

HCID 86598040N-[4-(trifluoromethyl)benzyl]-N'-[3-(trifluoromethyl)isoquinolin-5-yl]urea

출처 및 근거

ORD 기록
ord-53097896cddc406bba2da673acd362f6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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