HRID2128406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8821

Ethyl acrylate

C5H8O2

结构：COc1cc(Br)c2ccc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1

HCID59397948

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1cc(OC)cc2c1ccc(=O)n2CCN1CCC(N(Cc2ccc3c(c2)OCCO3)C(=O)OC(C)(C)C)CC1

HCID72288054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e6bb10ab4684648a9a85a7c8554bca4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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