Acetic Acid → HCID 178441656, compound

HRID 693584Notes

Reaction equation

HRID 693584 reaction equation
[BrH:32].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][cH:7][c:8]([CH2:30][Br:31])[c:9]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20](-[c:25]4[n:26][n:27][n:28][nH:29]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[n:10]1.[CH3:33][O-:34].[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][OH:41].[Na+:35]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][cH:7][c:8]([CH2:30][O:34][CH3:33])[c:9]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20](-[c:25]4[n:26][n:27][n:28][nH:29]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[n:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 887MethanolHCID 923Sodium ionHCID 3826051MethoxideHCID 178441600HCID 178441600, compound

Product 1

HCID 178441656HCID 178441656, compound

Sources & evidence

ORD record
ord-9e475de42cb147e481ee1bc2e6435b8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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