Acetic Acid → HCID 59787347, compound

HRID 1123944Notes

Reaction equation

HRID 1123944 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([C:20]#[C:21][c:22]3[s:23][cH:24][cH:25][n:26]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH3:27][C:28](=[O:29])[OH:30].[CH3:31][CH2:32][OH:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([CH2:20][CH2:21][c:22]3[s:23][cH:24][cH:25][n:26]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 59787364HCID 59787364, compound

Product 1

HCID 59787347HCID 59787347, compound

Sources & evidence

ORD record
ord-556818bf44154be5bf25ad0115ff0563
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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