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

HRID 94464

Reaction equation

HRID 94464 reaction equation
[CH2:23]([CH3:24])[c:25]1[cH:26][cH:27][c:28]([N:31]=[C:32]=[O:33])[cH:29][cH:30]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:32]([NH:31][c:28]3[cH:27][cH:26][c:25]([CH2:23][CH3:24])[cH:30][cH:29]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

Participants

3

Reactant 2

HCID 900074-Ethylphenyl isocyanateHCID 593233653-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propanamine

Product 1

HCID 593232451-(4-ethyl phenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea

Sources & evidence

ORD record
ord-411e0d6074e24982ae84f38bba28ffff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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