3-Isocyanatobenzonitrile → HCID 57842786, compound

HRID 92931Notes

Reaction equation

HRID 92931 reaction equation
[Br:23][c:24]1[cH:25][c:26]([CH2:35][CH3:36])[c:27]([CH2:32][CH2:33][OH:34])[c:28]([CH2:30][CH3:31])[cH:29]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([O:11][CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([Br:19])[cH:20][c:21]2[CH3:22])=[O:12])[cH:6][cH:7][cH:8]1.[N:37]([c:38]1[cH:39][c:40]([C:44]#[N:45])[cH:41][cH:42][cH:43]1)=[C:46]=[O:47]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[O:34][CH2:33][CH2:32][c:27]2[c:26]([CH2:35][CH3:36])[cH:25][c:24]([Br:23])[cH:29][c:28]2[CH2:30][CH3:31])[cH:6][cH:7][cH:8]1

Participants

4

Reactant 3

HCID 27333153-IsocyanatobenzonitrileHCID 578428474-Bromo-2-methylphenethyl 3-cyanophenylcarbamateHCID 578429172-(4-Bromo-2,6-diethylphenyl)ethanol

Product 1

HCID 57842786HCID 57842786, compound

Sources & evidence

ORD record
ord-ac713c682b8e48e980018ee03420e06e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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