Acetic Acid → HCID 19787919, compound

HRID 1217271Notes

Reaction equation

HRID 1217271 reaction equation
[CH3:34][CH2:35][O:36][CH2:37][CH3:38].[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[N-:30]=[C:31]=[O:32].[NH2:1][c:2]1[cH:3][n:4][c:5](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:6]([CH2:9][C:10](=[O:11])[NH:12][CH:13]([C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[CH:20]([CH3:21])[CH3:22])[c:7]1=[O:8].[Na+:33].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:39]>>[NH:1]([c:2]1[cH:3][n:4][c:5](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:6]([CH2:9][C:10](=[O:11])[NH:12][CH:13]([C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[CH:20]([CH3:21])[CH3:22])[c:7]1=[O:8])[C:31]([NH2:30])=[O:32]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 105034IsocyanateHCID 10024782HCID 10024782, compound

Product 1

HCID 19787919HCID 19787919, compound

Sources & evidence

ORD record
ord-d3dc842d8d4849728d9bf48f6ae6f064
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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