HRID2135407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID69828

Cyclopropanamine

C3H7N

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

HCID66857022

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ccc(OCCCCCNC3CC3)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID11307422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6204182c051f4427b8ce69fe08dcd9a9
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:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9](-[c:25]2[cH:26][c:27]3[c:32]([cH:33][cH:34]2)[C:31]([CH3:35])([CH3:36])[CH2:30][CH2:29][C:28]3([CH3:37])[CH3:38])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:18][cH:19]2)[cH:12][cH:13]1.[CH3:43][CH2:44][OH:45].[CH:39]1([NH2:42])[CH2:40][CH2:41]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9](-[c:25]2[cH:26][c:27]3[c:32]([cH:33][cH:34]2)[C:31]([CH3:35])([CH3:36])[CH2:30][CH2:29][C:28]3([CH3:37])[CH3:38])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:18][cH:19]2)[cH:12][cH:13]1)[NH:42][CH:39]1[CH2:40][CH2:41]1