Acetic Acid → HCID 19980425, compound

HRID 162601Notes

Reaction equation

HRID 162601 reaction equation
[BrH:1].[CH3:35][C:36](=[O:37])[OH:38].[CH:39]([Cl:40])([Cl:41])[Cl:42].[OH2:34].[c:2]1([CH:8]2[CH:9]([C:11]3=[C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH:15]([c:22]4[cH:23][c:24]([N+:28](=[O:29])[O-:30])[cH:25][cH:26][cH:27]4)[C:14]([C:31]#[N:32])=[C:13]([CH3:33])[NH:12]3)[CH2:10]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[Br:1][CH:8]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:10][CH2:9][C:11]1=[C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH:15]([c:22]2[cH:23][c:24]([N+:28](=[O:29])[O-:30])[cH:25][cH:26][cH:27]2)[C:14]([C:31]#[N:32])=[C:13]([CH3:33])[NH:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 962WaterHCID 6212ChloroformHCID 19980454HCID 19980454, compound

Product 1

HCID 19980425HCID 19980425, compound

Sources & evidence

ORD record
ord-b7e659fa285a4575942a9113b9959f71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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