HRID298468

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(OCCBr)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID66856300

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ccc(OCCNC3CC3)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID11156509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c73759ada69244af93154a33f457871b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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