HRID94431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14057

Butanoic acid, 3,3-dimethyl-

C6H12O2

结构：CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1OC(=O)CBr

HCID178435315

未命名化合物

PRODUCTS

生成物

结构：CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1OC(=O)COC(=O)CC(C)(C)C

HCID178435328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0d1e5d8a8af4031b7f1f47804691347
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:9]([CH3:10])[CH:11]1[CH:12]([O:30][C:31]([CH2:32][Br:33])=[O:34])[C:13]2([CH3:14])[CH:15]([CH2:16]1)[CH:17]1[CH2:18][CH2:19][C:20]3=[CH:21][C:22](=[O:29])[CH2:23][CH2:24][CH:25]3[CH:26]1[CH2:27][CH2:28]2.[CH3:1][C:2]([CH3:3])([CH3:4])[CH2:5][C:6]([OH:7])=[O:8].[CH3:40][C:41](=[O:42])[CH3:43].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[CH3:1][C:2]([CH3:3])([CH3:4])[CH2:5][C:6](=[O:7])[O:8][CH2:32][C:31]([O:30][CH:12]1[CH:11]([CH2:9][CH3:10])[CH2:16][CH:15]2[C:13]1([CH3:14])[CH2:28][CH2:27][CH:26]1[CH:17]2[CH2:18][CH2:19][C:20]2=[CH:21][C:22](=[O:29])[CH2:23][CH2:24][CH:25]21)=[O:34]