Acetone → HCID 23035203, compound

HRID 2132784Notes

Reaction equation

HRID 2132784 reaction equation
[C:5](=[O:6])=[O:7].[CH3:1][C:2](=[O:3])[CH3:4].[Cl-:37].[Cl:10][c:11]1[c:12]([CH:26]([C:27](=[O:28])[Cl:29])[c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[c:13]([Cl:25])[cH:14][c:15](-[n:17]2[n:18][cH:19][c:20](=[O:24])[nH:21][c:22]2=[O:23])[cH:16]1.[Cu:45][I:46].[Li:8][CH3:9].[NH4+:38].[O:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:44]>>[CH3:1][C:27]([CH:26]([c:12]1[c:11]([Cl:10])[cH:16][c:15](-[n:17]2[n:18][cH:19][c:20](=[O:24])[nH:21][c:22]2=[O:23])[cH:14][c:13]1[Cl:25])[c:30]1[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]1)=[O:28]

Participants

11

Reactant 10

HCID 180AcetoneHCID 223AmmoniumHCID 280Carbon DioxideHCID 312ChlorideHCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 225573202,6-dichloro-alpha-(4-chlorophenyl)-4(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetylchlorideHCID 178418348HCID 178418348, compound

Product 1

HCID 23035203HCID 23035203, compound

Sources & evidence

ORD record
ord-d15633dde0b44b1a8ff2151bd73888f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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