Calcium Cation → 3-Chloropropyl (4-hydroxy-2-nitrophenyl)carbamate

HRID 186919

Reaction equation

HRID 186919 reaction equation
[CH3:25][O:26][CH:27]([O:28][CH3:29])[CH3:30].[Ca+2:12].[Cl:17][C:18](=[O:19])[O:20][CH2:21][CH2:22][CH2:23][Cl:24].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([OH:11])[cH:7][cH:8][c:9]1[NH2:10].[O-:13][C:14](=[O:15])[O-:16]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([OH:11])[cH:7][cH:8][c:9]1[NH:10][C:18](=[O:19])[O:20][CH2:21][CH2:22][CH2:23][Cl:24]

Participants

6

Reactant 5

HCID 271Calcium CationHCID 107951,1-DimethoxyethaneHCID 19660Carbonate IonHCID 69399Carbonochloridic acid, 3-chloropropyl esterHCID 37588824-Amino-3-Nitrophenol

Product 1

HCID 202445903-Chloropropyl (4-hydroxy-2-nitrophenyl)carbamate

Sources & evidence

ORD record
ord-a5df89fd0b1b499ca92e6728065cbb47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

Loading…