Acetic Acid → HCID 54253406, compound

HRID 212556Notes

Reaction equation

HRID 212556 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[CH3:39][OH:40].[Cl:35][CH:36]([Cl:37])[CH3:38].[F:1][c:2]1[c:3](-[n:12]2[cH:13][c:14]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:15](=[O:25])[c:16]3[cH:17][c:18]([F:24])[c:19]([F:23])[c:20]([F:22])[c:21]23)[cH:4][c:5]([N+:9]([O-:10])=[O:11])[c:6]([F:8])[cH:7]1>>[F:1][c:2]1[c:3](-[n:12]2[cH:13][c:14]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:15](=[O:25])[c:16]3[cH:17][c:18]([F:24])[c:19]([F:23])[c:20]([F:22])[c:21]23)[cH:4][c:5]([NH2:9])[c:6]([F:8])[cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 63651,1-DichloroethaneHCID 53748582HCID 53748582, compound

Product 1

HCID 54253406HCID 54253406, compound

Sources & evidence

ORD record
ord-5321a2dccbad4b3784744b3cc7ca6844
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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