4-Acetylphenyl isocyanate → 1-(4-acetylphenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea

반응식

[C:23]([CH3:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([N:32]=[C:33]=[O:34])[cH:30][cH:31]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:33]([NH:32][c:29]3[cH:28][cH:27][c:26]([C:23]([CH3:24])=[O:25])[cH:31][cH:30]3)=[O:34])[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 994524-Acetylphenyl isocyanate

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

생성물 1

HCID 593232151-(4-acetylphenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea

출처 및 근거

ORD 기록: ord-2a0b4842a6434bf98ff1422d7c118b07
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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