Acetic Acid → HCID 178503493, compound

HRID 188790Notes

Reaction equation

HRID 188790 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[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]([S:37][CH3:38])[n:26][c:27]([NH:30][CH2:31][c:32]3[s:33][cH:34][cH:35][n:36]3)[c:28]2[F:29])[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:43]>>[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]([S:37][CH3:38])[n:26][c:27]([NH:30][CH2:31][c:32]3[s:33][cH:34][cH:35][n:36]3)[c:28]2[F:29])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 178503492HCID 178503492, compound

Product 1

HCID 178503493HCID 178503493, compound

Sources & evidence

ORD record
ord-8b868876ccb7443cbecab3c9b39602b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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