HRID168429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID8471

Triethylamine

C6H15N

HCID61778

Bisulfate anion

HO4S-

结构：COC(=O)C1CC(OC(=O)N2Cc3cccc(Br)c3C2)CN1C(=O)OC(C)(C)C

HCID66888144

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cccc2c1CN(C(=O)OC1CC(C(=O)OC)N(C(=O)OC(C)(C)C)C1)C2

HCID66888671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bfeb89da0d54a62a7803876d3cdcbad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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