Acetic Acid → HCID 86594879, compound

HRID 1239060Notes

Reaction equation

HRID 1239060 reaction equation
[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH2:14][NH:15][C:16](=[O:17])[CH:18]3[CH2:19][CH2:20][N:21]([c:24]4[c:25]([N+:31]([O-:32])=[O:33])[cH:26][c:27]([Cl:30])[cH:28][cH:29]4)[CH2:22][CH2:23]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)[CH3:34].[CH3:35][C:36](=[O:37])[O:38][C:39](=[O:40])[CH3:41].[CH3:42][C:43](=[O:44])[OH:45]>>[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH2:14][NH:15][C:16](=[O:17])[CH:18]3[CH2:19][CH2:20][N:21]([c:24]4[c:25]([NH:31][C:36]([CH3:35])=[O:37])[cH:26][c:27]([Cl:30])[cH:28][cH:29]4)[CH2:22][CH2:23]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)[CH3:34]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 7918Acetic AnhydrideHCID 86594880HCID 86594880, compound

Product 1

HCID 86594879HCID 86594879, compound

Sources & evidence

ORD record
ord-7b7cfbf0a4e84ebfbff5ec1bbe180917
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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