HRID192015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID72879

Methanesulfonamide

CH5NO2S

结构：Cc1ccc(N2CCN(c3cccc(C4Nc5ccc(C(=O)O)cc5CC4(C)C)c3)CC2)c(C)c1

HCID53492036

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2CCN(c3cccc(C4Nc5ccc(C(=O)NS(C)(=O)=O)cc5CC4(C)C)c3)CC2)c(C)c1

HCID58476249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b47e359eb0344539be8fc478ebf8356
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][c:17]([CH:21]4[NH:22][c:23]5[cH:24][cH:25][c:26]([C:33](=[O:34])[OH:35])[cH:27][c:28]5[CH2:29][C:30]4([CH3:31])[CH3:32])[cH:18][cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:36][S:37](=[O:38])(=[O:39])[NH2:40].[CH3:41][N:42]([CH3:43])[c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1.[Cl:50][CH2:51][Cl:52]>>[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][c:17]([CH:21]4[NH:22][c:23]5[cH:24][cH:25][c:26]([C:33](=[O:34])[NH:40][S:37]([CH3:36])(=[O:38])=[O:39])[cH:27][c:28]5[CH2:29][C:30]4([CH3:31])[CH3:32])[cH:18][cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1