Phenethyl isocyanate → 1-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]-3-(2-phenyl ethyl)urea

HRID 137031

반응식

HRID 137031 반응식
[CH2:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[N:31]=[C:32]=[O:33].[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:32]([NH:31][CH2:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:33])[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

3

반응물 2

HCID 160602Phenethyl isocyanateHCID 593233653-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propanamine

생성물 1

HCID 593234171-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]-3-(2-phenyl ethyl)urea

출처 및 근거

ORD 기록
ord-ec7600c438ea49a9aa9fd9ce8eb8687c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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