HRID1575863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID12018708

未命名化合物

HCID22337561

1-[4-(Azepan-1-yl)phenyl]methanamine

C13H20N2

HCID22337638

α-Methyl-5-isoquinolineacetic acid

C12H11NO2

PRODUCTS

生成物

结构：CC(C(=O)NCc1ccc(N2CCCCCC2)cc1)c1cccc2cnccc12

HCID11749546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ca2d44367e846fca4a4ac6e21bf716c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:45][S:46]([CH3:47])=[O:48].[N:1]1([c:8]2[cH:9][cH:10][c:11]([CH2:12][NH2:13])[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[cH:16]1[n:17][cH:18][cH:19][c:20]2[c:21]([CH:26]([C:27](=[O:28])[OH:29])[CH3:30])[cH:22][cH:23][cH:24][c:25]12.[cH:31]1[c:32]2[c:33]([c:34]([CH2:35][C:36]([OH:37])=[O:38])[cH:39][cH:40][cH:41]2)[cH:42][cH:43][n:44]1>>[N:1]1([c:8]2[cH:9][cH:10][c:11]([CH2:12][NH:13][C:27]([CH:26]([c:21]3[c:20]4[cH:19][cH:18][n:17][cH:16][c:25]4[cH:24][cH:23][cH:22]3)[CH3:30])=[O:28])[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1