Ethanol → HCID 57115188, compound

HRID 1128049Notes

Reaction equation

HRID 1128049 reaction equation
[CH2:31]([CH3:32])[O:33][C:34]([CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])=[O:41].[CH3:50][CH2:51][OH:52].[CH:46]([Cl:47])([Cl:48])[Cl:49].[I-:45].[K+:44].[N:1]1([c:7]2[c:8]([CH:13]([CH3:14])[CH:15]([c:16]3[cH:17][cH:18][c:19]([CH2:20][Cl:21])[cH:22][cH:23]3)[C:24](=[O:25])[NH2:26])[cH:9][cH:10][cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na:42].[Na:43].[S:27]([Cl:28])([Cl:29])=[O:30]>>[N:1]1([c:7]2[c:8]([CH:13]([CH3:14])[CH:15]([c:16]3[cH:17][cH:18][c:19]([CH2:20][CH:35]([C:34]([O:33][CH2:31][CH3:32])=[O:41])[C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:22][cH:23]3)[C:24](=[O:25])[NH2:26])[cH:9][cH:10][cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium CationHCID 6212ChloroformHCID 7761Diethyl MalonateHCID 24386Thionyl ChlorideHCID 30165Iodide IonHCID 5360545Sodium2×HCID 20145263HCID 20145263, compound

Product 1

HCID 57115188HCID 57115188, compound

Sources & evidence

ORD record
ord-8f42f4f9072f4ec8b4f7fc51246f7fa1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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