Acetic Acid → HCID 178442414, compound

HRID 142437Notes

Reaction equation

HRID 142437 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[CH3:5][S:6](=[O:7])(=[NH:8])[c:9]1[cH:10][c:11]([CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[c:12]2[o:13][c:14]3[cH:15][cH:16][c:17]([C:24](=[O:25])[O:26][CH3:27])[cH:18][c:19]3[c:20](=[O:23])[c:21]2[cH:22]1.[Na:1][O:2][C:3]#[N:4].[OH2:34]>>[O:2]=[C:3]([NH2:4])[N:8]=[S:6]([CH3:5])(=[O:7])[c:9]1[cH:10][c:11]([CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[c:12]2[o:13][c:14]3[cH:15][cH:16][c:17]([C:24](=[O:25])[O:26][CH3:27])[cH:18][c:19]3[c:20](=[O:23])[c:21]2[cH:22]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 301712258762-16-6HCID 178418852HCID 178418852, compound

Product 1

HCID 178442414HCID 178442414, compound

Sources & evidence

ORD record
ord-5b16bb8027f24ad7b2cf9c6ab25617b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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