Chloroacetic Acid → HCID 86639128, compound

HRID 2158798Notes

Reaction equation

HRID 2158798 reaction equation
[C:22](=[O:23])([OH:24])[O-:25].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH:9]([Li:10])([CH2:11][CH3:12])[CH3:13].[Cl:17][CH2:18][C:19](=[O:20])[OH:21].[F:1][c:2]1[cH:3][cH:4][c:5]([F:6])[cH:7][cH:8]1.[Na+:26].[OH2:37].[S:14]=[C:15]=[S:16].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[F:1][c:2]1[c:3]([C:15](=[S:14])[S:16][CH2:18][C:19](=[O:20])[OH:21])[cH:4][c:5]([F:6])[cH:7][cH:8]1

Participants

10

Reactant 9

HCID 300Chloroacetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 6348Carbon DisulfideHCID 8028TetrahydrofuranHCID 108921,4-DifluorobenzeneHCID 178418400CID 53628100

Product 1

HCID 86639128HCID 86639128, compound

Sources & evidence

ORD record
ord-187e43e2f11245ba967ec67fc98cab3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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