Acetic Acid → HCID 178439441, compound

HRID 1204797Notes

Reaction equation

HRID 1204797 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[C:15]1([O:41][SiH:42]([CH3:43])[CH3:44])[CH:16]([CH:25]=[CH:26][CH:27]([CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][O:33][SiH:34]([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH:17]([CH2:22][C:23]#[CH:24])[CH:18]([CH2:20][OH:21])[CH2:19]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:7][S:8](=[O:9])[CH3:10].[Cl-:56].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:58][CH2:59][Cl:60].[NH4+:57]>>[C:11]([CH3:12])([CH3:13])([CH3:14])[C:15]1([O:41][SiH:42]([CH3:43])[CH3:44])[CH:16]([CH:25]=[CH:26][CH:27]([CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][O:33][SiH:34]([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH:17]([CH2:22][C:23]#[CH:24])[CH:18]([CH:20]=[O:21])[CH2:19]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 178439442HCID 178439442, compound

Product 1

HCID 178439441HCID 178439441, compound

Sources & evidence

ORD record
ord-42fab52d08a34ca1825dbbaac4b384da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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