HRID152869

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(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：CCOC(=O)c1ccc(-c2ccc(OCCCNC3CC3)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID11398367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1c0e9a9f907467f8854d80f7e887ab7
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

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