Acetic Acid → HCID 53706299, compound

HRID 2153577Notes

Reaction equation

HRID 2153577 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[CH2:8][P:9](=[O:10])([O:11][CH3:12])[O:13][CH3:14])[cH:15][cH:16][c:17]1[O:18][CH2:19][C:20](=[O:21])[NH:22][c:23]1[s:24][c:25]2[c:26]([n:27]1)[cH:28][cH:29][cH:30][cH:31]2.[CH3:42][C:43](=[O:44])[OH:45].[Na+:41].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:40].[n:32]1[cH:33][cH:34][c:35]([CH:38]=[O:39])[cH:36][cH:37]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[CH:8]=[CH:38][c:35]2[cH:34][cH:33][n:32][cH:37][cH:36]2)[cH:15][cH:16][c:17]1[O:18][CH2:19][C:20](=[O:21])[NH:22][c:23]1[s:24][c:25]2[c:26]([n:27]1)[cH:28][cH:29][cH:30][cH:31]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 133894-PyridinecarboxaldehydeHCID 86755973HCID 86755973, compound

Product 1

HCID 53706299HCID 53706299, compound

Sources & evidence

ORD record
ord-8f5425e443b446d9a3c64f25dffe6ec7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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