Water → 2,2,2-Trichloroethyl 2,4-bis(trichloromethyl)benzo[1,3]dioxin-6-carboxylate

Reaction equation

[Cl:1][C:2]([CH:3]1[O:4][c:5]2[c:6]([cH:13][c:14]([C:17](=[O:18])[Cl:19])[cH:15][cH:16]2)[CH:7]([C:9]([Cl:10])([Cl:11])[Cl:12])[O:8]1)([Cl:20])[Cl:21].[OH2:28].[OH:22][CH2:23][C:24]([Cl:25])([Cl:26])[Cl:27]>>[Cl:1][C:2]([CH:3]1[O:4][c:5]2[c:6]([cH:13][c:14]([C:17]([O:18][CH2:23][C:24]([Cl:25])([Cl:26])[Cl:27])=[O:28])[cH:15][cH:16]2)[CH:7]([C:9]([Cl:10])([Cl:11])[Cl:12])[O:8]1)([Cl:20])[Cl:21]

Participants

Reactant 3

HCID 962Water

HCID 8259Trichloroethanol

HCID 233329602,4-Bis(trichloromethyl)-2H,4H-1,3-benzodioxine-6-carbonyl chloride

Product 1

HCID 233329482,2,2-Trichloroethyl 2,4-bis(trichloromethyl)benzo[1,3]dioxin-6-carboxylate

Sources & evidence

ORD record: ord-d0110c16a54e4127ad54a1bcd1a03b65
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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