Ethyl isocyanate → HCID 22502549, compound

HRID 1205873Notes

Reaction equation

HRID 1205873 reaction equation
[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11](-[c:19]3[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]3)[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[CH2:7][CH2:8]1.[CH2:26]([CH3:27])[N:28]=[C:29]=[O:30].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11](-[c:19]3[cH:20][cH:21][c:22]([C:29]([NH:28][CH2:26][CH3:27])=[O:30])[cH:23][cH:24]3)[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[CH2:7][CH2:8]1

Participants

4

Reactant 3

HCID 8022Ethyl isocyanateHCID 8028TetrahydrofuranHCID 1357190421-(1-Ethylpiperazin-4-yl)-3-(4-hydroxyphenyl)isoquinoline

Product 1

HCID 22502549HCID 22502549, compound

Sources & evidence

ORD record
ord-42330905bbdb4aad975876e7f000ce28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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