Acetic Acid → HCID 178482877, compound

HRID 2335096Notes

Reaction equation

HRID 2335096 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[Cl:1][c:2]1[n:3][c:4]([N:31]([CH3:32])[CH2:33][c:34]2[o:35][cH:36][cH:37][cH:38]2)[c:5]([F:30])[c:6]([NH:8][NH:9][C:10]([CH:11]([CH2:12][N:13]([CH:14]=[O:15])[O:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][O:22]2)[CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)=[O:29])[n:7]1.[OH2:43]>>[Cl:1][c:2]1[n:3][c:4]([N:31]([CH3:32])[CH2:33][c:34]2[o:35][cH:36][cH:37][cH:38]2)[c:5]([F:30])[c:6]([NH:8][NH:9][C:10]([CH:11]([CH2:12][N:13]([CH:14]=[O:15])[OH:16])[CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)=[O:29])[n:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 178482876HCID 178482876, compound

Product 1

HCID 178482877HCID 178482877, compound

Sources & evidence

ORD record
ord-4b1b543b17464958991a803b08e1cfa3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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