Acetic Acid → HCID 54707855, compound

HRID 197611Notes

Reaction equation

HRID 197611 reaction equation
[BrH:36].[CH3:31][CH2:32][O:33][CH2:34][CH3:35].[CH3:37][C:38](=[O:39])[OH:40].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:26])[c:8]3[c:9]([O:24][CH3:25])[c:10](=[O:23])[n:11]([CH3:22])[c:12]([N:16]([S:17](=[O:18])(=[O:19])[CH3:20])[CH3:21])[c:13]3[CH2:14][CH2:15]2)[cH:27][cH:28][c:29]1[F:30]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:26])[c:8]3[c:9]([OH:24])[c:10](=[O:23])[n:11]([CH3:22])[c:12]([N:16]([S:17](=[O:18])(=[O:19])[CH3:20])[CH3:21])[c:13]3[CH2:14][CH2:15]2)[cH:27][cH:28][c:29]1[F:30]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 3283Diethyl EtherHCID 69061292HCID 69061292, compound

Product 1

HCID 54707855HCID 54707855, compound

Sources & evidence

ORD record
ord-003daec53c7d4f539c3a9ebfe1db0da3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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