Phenyl isocyanate → N-[4-(2-diethylaminoethoxy)phenyl]-N-[4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]-N'-phenylurea

반응식

[CH2:10]([CH3:11])[N:12]([CH2:13][CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([NH:22][C:23]2=[N:24][N:25]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:26][CH2:27]2)[cH:20][cH:21]1)[CH2:34][CH3:35].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[c:1]1([N:7]=[C:8]=[O:9])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][C:8](=[O:9])[N:22]([c:19]2[cH:18][cH:17][c:16]([O:15][CH2:14][CH2:13][N:12]([CH2:10][CH3:11])[CH2:34][CH3:35])[cH:21][cH:20]2)[C:23]2=[N:24][N:25]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:26][CH2:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 7672Phenyl isocyanate

HCID 8028Tetrahydrofuran

HCID 178464081HCID 178464081, 화합물

생성물 1

HCID 22167070N-[4-(2-diethylaminoethoxy)phenyl]-N-[4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]-N'-phenylurea

출처 및 근거

ORD 기록: ord-903a683b62aa41639125bf1587cb4987
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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