Acetic Acid → HCID 68960638, compound

HRID 1230257Notes

Reaction equation

HRID 1230257 reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[CH:3]1([NH:9][C:10]([N:11]([CH3:12])[c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH:25]=[C:26]([C:27](=[O:28])[O:29][CH3:30])[O:31][CH3:32])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:33])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Na+:2].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:1]>>[CH:3]1([NH:9][C:10]([N:11]([CH3:12])[c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH:25]=[C:26]([C:27](=[O:28])[OH:29])[O:31][CH3:32])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:33])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 90742738HCID 90742738, compound

Product 1

HCID 68960638HCID 68960638, compound

Sources & evidence

ORD record
ord-5e253879f2214dc0abc96323dd882073
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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