4-Chlorophenyl Isocyanate → 1-(4-chlorophenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea

반응식

[Cl:23][c:24]1[cH:25][cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH2:20])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH:20][C:31]([NH:30][c:27]3[cH:26][cH:25][c:24]([Cl:23])[cH:29][cH:28]3)=[O:32])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1

참가 물질

반응물 2

HCID 76934-Chlorophenyl Isocyanate

HCID 593233653-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propanamine

생성물 1

HCID 593232961-(4-chlorophenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea

출처 및 근거

ORD 기록: ord-569115f744404159a3e656a9ac4be30c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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