Acetic Acid → Chloride

HRID 205613Notes

Reaction equation

HRID 205613 reaction equation
[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:37][CH2:38][OH:39].[CH3:45][OH:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl-:1].[NH2:2][c:3]1[cH:4][c:5]2[c:6]([NH:13][c:14]3[cH:15][cH:16][c:17]([NH:18][C:19](=[O:20])[c:21]4[cH:22][cH:23][c:24]([NH:25][c:26]5[cH:27][cH:28][n+:29]([CH3:32])[cH:30][cH:31]5)[cH:33][cH:34]4)[cH:35][cH:36]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1.[OH2:40]>>[Cl-:1].[N+:2]([c:3]1[cH:4][c:5]2[c:6]([NH:13][c:14]3[cH:15][cH:16][c:17]([NH:18][C:19](=[O:20])[c:21]4[cH:22][cH:23][c:24]([NH:25][c:26]5[cH:27][cH:28][n+:29]([CH3:32])[cH:30][cH:31]5)[cH:33][cH:34]4)[cH:35][cH:36]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1)(=[O:40])[O-:46]

Participants

9

Reactant 7

HCID 176Acetic AcidHCID 312ChlorideHCID 702EthanolHCID 887MethanolHCID 962WaterHCID 8857Ethyl AcetateHCID 67198918HCID 67198918, compound

Product 2

HCID 312ChlorideHCID 67199735HCID 67199735, compound

Sources & evidence

ORD record
ord-44e289282a7744aa9ab6515d36ed8967
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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