Acetic Acid → HCID 178420994, compound

HRID 1131157Notes

Reaction equation

HRID 1131157 reaction equation
[Br-:10].[Br:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:19][C:20]12[C:21](=[O:38])[CH2:22][CH2:23][CH:24]1[CH:25]1[CH:26]=[CH:27][C:28]3=[CH:29][C:30](=[O:37])[CH2:31][CH2:32][CH:33]3[CH:34]1[CH2:35][CH2:36]2.[CH3:39][Si:40]([CH3:41])([CH3:42])[Cl:43].[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][N:61]([CH3:62])[C:63]1=[O:64].[Cu:49][I:50].[Cu:51].[I-:11].[Li+:9].[Mg:1].[c:12]1([Mg+:13])[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[c:3]1([CH:26]2[CH:25]3[CH:24]4[C:20]([CH3:19])([C:21](=[O:38])[CH2:22][CH2:23]4)[CH2:36][CH2:35][CH:34]3[CH:33]3[C:28](=[CH:29][C:30](=[O:37])[CH2:31][CH2:32]3)[CH2:27]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1

Participants

14

Reactant 13

HCID 176Acetic AcidHCID 259Bromide ionHCID 6397ChlorotrimethylsilaneHCID 7961BromobenzeneHCID 8028TetrahydrofuranHCID 23978CopperHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28486Lithium ionHCID 30165Iodide IonHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 5462224MagnesiumHCID 9900115HCID 9900115, compoundHCID 178507002HCID 178507002, compound

Product 1

HCID 178420994HCID 178420994, compound

Sources & evidence

ORD record
ord-eb84c9bfc8c54cf7ba22d959fa624b12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…