Acetic Acid → HCID 14800319, compound

HRID 2141732Notes

Reaction equation

HRID 2141732 reaction equation
[CH3:33][O:34][CH2:35][CH2:36][Cl:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[H-:31].[Na+:32].[OH2:47].[nH:1]1[c:2]([C:10](=[O:11])[NH:12][CH:13]2[C:14](=[O:30])[NH:15][c:16]3[c:17]([cH:26][cH:27][cH:28][cH:29]3)[C:18]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[N:19]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[c:2]([C:10](=[O:11])[NH:12][CH:13]2[C:14](=[O:30])[N:15]([CH2:36][CH2:35][O:34][CH3:33])[c:16]3[c:17]([cH:26][cH:27][cH:28][cH:29]3)[C:18]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[N:19]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 123162-Chloroethyl methyl etherHCID 166653HydrideHCID 14208192HCID 14208192, compound

Product 1

HCID 14800319HCID 14800319, compound

Sources & evidence

ORD record
ord-5958838d134643edad181afd3d11d671
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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