Calcium Cation → 2-chloroethyl N-(4-amino-3-nitrophenyl)carbamate

HRID 115065

Reaction equation

HRID 115065 reaction equation
[Ca+2:12].[Cl:17][C:18](=[O:19])[O:20][CH2:21][CH2:22][Cl:23].[NH2:1][c:2]1[c:3]([N+:9](=[O:10])[O-:11])[cH:4][c:5]([NH2:8])[cH:6][cH:7]1.[O-:13][C:14](=[O:15])[O-:16].[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1>>[NH2:1][c:2]1[c:3]([N+:9](=[O:10])[O-:11])[cH:4][c:5]([NH:8][C:18](=[O:19])[O:20][CH2:21][CH2:22][Cl:23])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 123052-Chloroethyl chloroformateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 43383702-Nitro-4-phenylenediamine

Product 1

HCID 147745652-chloroethyl N-(4-amino-3-nitrophenyl)carbamate

Sources & evidence

ORD record
ord-b9ea78e0cc5a4f4facd5ac992747ea3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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