2-Chloroethanol → HCID 178465911, compound

HRID 1133075Notes

Reaction equation

HRID 1133075 reaction equation
[C:30](=[O:31])([OH:32])[O-:33].[Na+:34].[O:1]1[CH:2]2[CH:3]1[CH2:4][CH:5]1[CH2:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:13]([CH3:14])=[O:15])[C:16]4([CH3:24])[CH2:17][C:18](=[O:23])[CH:19]3[C:20]1([CH3:22])[CH2:21]2.[OH2:35].[OH:36][CH2:37][CH2:38][Cl:39].[S:25](=[O:26])(=[O:27])([OH:28])[OH:29]>>[OH:1][CH:3]1[CH:2]([O:36][CH2:37][CH2:38][Cl:39])[CH2:21][C:20]2([CH3:22])[CH:5]([CH2:4]1)[CH2:6][CH2:7][CH:8]1[CH:9]3[CH2:10][CH2:11][CH:12]([C:13]([CH3:14])=[O:15])[C:16]3([CH3:24])[CH2:17][C:18](=[O:23])[CH:19]12

Participants

7

Reactant 6

HCID 342-ChloroethanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 178465864HCID 178465864, compound

Product 1

HCID 178465911HCID 178465911, compound

Sources & evidence

ORD record
ord-e6e086c3068246ddbf7f61d2ff8bcf5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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