Acetic Acid → HCID 54692355, compound

HRID 200442Notes

Reaction equation

HRID 200442 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]2[c:11]([n:12]3[c:13]1[C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]3)[c:20]([CH3:34])[cH:21][n:22]([CH2:25][c:26]1[cH:27][c:28]([Cl:33])[c:29]([F:32])[cH:30][cH:31]1)[c:23]2=[O:24].[CH3:35][CH2:36][OH:37].[CH3:40][C:41](=[O:42])[OH:43].[H:38][H:39]>>[OH:8][c:9]1[c:10]2[c:11]([n:12]3[c:13]1[C:14](=[O:19])[N:15]([CH3:18])[CH2:16][CH2:17]3)[c:20]([CH3:34])[cH:21][n:22]([CH2:25][c:26]1[cH:27][c:28]([Cl:33])[c:29]([F:32])[cH:30][cH:31]1)[c:23]2=[O:24]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 69171909HCID 69171909, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 54692355HCID 54692355, compound

Sources & evidence

ORD record
ord-028b4291ef8b40228ebdc33763d4478b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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