Acetic Acid → HCID 59427323, compound

HRID 2161010Notes

Reaction equation

HRID 2161010 reaction equation
[C:40]([OH:41])(=[O:42])[CH3:43].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([S:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][c:32]([O:38][CH3:39])[c:33]([O:36][CH3:37])[n:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[Na+:45].[OH-:44].[OH2:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([S:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][c:32]([O:38][CH3:39])[c:33](=[O:36])[nH:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 67318545HCID 67318545, compound

Product 1

HCID 59427323HCID 59427323, compound

Sources & evidence

ORD record
ord-1f958c95e38744b6ac567feba2fac6fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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