Acetic Acid → HCID 67416092, compound

HRID 166445Notes

Reaction equation

HRID 166445 reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[Cl:1][c:2]1[c:3]2[c:4]3[c:5]([c:6]([CH2:12][S:13](=[O:14])(=[O:15])[N:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH3:23])[n:7][c:8]2[cH:9][cH:10][n:11]1)[cH:24][cH:25][n:26][cH:27]3.[Na+:29].[OH-:28].[OH2:34]>>[c:2]1(=[O:28])[c:3]2[c:4]3[c:5]([c:6]([CH2:12][S:13](=[O:14])(=[O:15])[N:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH3:23])[n:7][c:8]2[cH:9][cH:10][nH:11]1)[cH:24][cH:25][n:26][cH:27]3

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 59375562HCID 59375562, compound

Product 1

HCID 67416092HCID 67416092, compound

Sources & evidence

ORD record
ord-cb5ae00cb68f4603a784a1382cfb6ac5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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