Acetic Acid → HCID 178433398, compound

HRID 295063Notes

Reaction equation

HRID 295063 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[CH:1]1([CH2:6][CH:7]([CH2:8][N:9]([CH:10]=[O:11])[O:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][O:18]2)[C:19](=[O:20])[NH:21][NH:22][c:23]2[n:24][c:25]([CH3:39])[n:26][c:27]([N:30]([CH2:31][c:32]3[cH:33][cH:34][n:35][cH:36][cH:37]3)[CH3:38])[c:28]2[F:29])[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:44]>>[CH:1]1([CH2:6][CH:7]([CH2:8][N:9]([CH:10]=[O:11])[OH:12])[C:19](=[O:20])[NH:21][NH:22][c:23]2[n:24][c:25]([CH3:39])[n:26][c:27]([N:30]([CH2:31][c:32]3[cH:33][cH:34][n:35][cH:36][cH:37]3)[CH3:38])[c:28]2[F:29])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 178433383HCID 178433383, compound

Product 1

HCID 178433398HCID 178433398, compound

Sources & evidence

ORD record
ord-ba7be1059bb343ae949b25945edb7b34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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