Acetic Acid → HCID 11661699, compound

HRID 173740Notes

Reaction equation

HRID 173740 reaction equation
[CH2:34]([OH:35])[CH2:36][CH3:37].[CH3:1][O:2][C:3](=[O:4])[C:5]1([NH:9][C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]3[c:16]([CH:23]4[CH2:24][CH2:25][CH2:26][CH2:27]4)[c:17]([Br:22])[n:18]([CH3:21])[c:19]3[cH:20]2)[CH2:6][CH2:7][CH2:8]1.[CH3:30][C:31](=[O:32])[OH:33].[Na+:29].[OH-:28].[OH2:38]>>[O:2]=[C:3]([OH:4])[C:5]1([NH:9][C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]3[c:16]([CH:23]4[CH2:24][CH2:25][CH2:26][CH2:27]4)[c:17]([Br:22])[n:18]([CH3:21])[c:19]3[cH:20]2)[CH2:6][CH2:7][CH2:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 10311-PropanolHCID 11539298HCID 11539298, compound

Product 1

HCID 11661699HCID 11661699, compound

Sources & evidence

ORD record
ord-3975b7b3d1cb479189c202ab2fd84870
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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