HRID678724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7852

Propylamine

C3H9N

结构：CCOC(=O)c1ccc(-c2ccc(OCCCI)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID66856963

未命名化合物

PRODUCTS

生成物

结构：CCCNCCCOc1ccc(-c2ccc(C(=O)OCC)cc2)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID11455315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcf01cb21aa345c7b16b3edbbbc92453
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH2:2][CH3:3])[NH2:4].[CH3:41][CH2:42][OH:43].[I:5][CH2:6][CH2:7][CH2:8][O:9][c:10]1[c:11](-[c:27]2[cH:28][c:29]3[c:34]([cH:35][cH:36]2)[C:33]([CH3:37])([CH3:38])[CH2:32][CH2:31][C:30]3([CH3:39])[CH3:40])[cH:12][c:13](-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:20][cH:21]2)[cH:14][cH:15]1>>[CH2:1]([CH2:2][CH3:3])[NH:4][CH2:6][CH2:7][CH2:8][O:9][c:10]1[c:11](-[c:27]2[cH:28][c:29]3[c:34]([cH:35][cH:36]2)[C:33]([CH3:37])([CH3:38])[CH2:32][CH2:31][C:30]3([CH3:39])[CH3:40])[cH:12][c:13](-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:20][cH:21]2)[cH:14][cH:15]1