HRID1221412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID25105049

未命名化合物

HCID25105050

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1

HCID11584660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36b0283a4ad1405cbeca51cbf91cabfc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][n:2]1[n:3][c:4]([CH3:18])[cH:5][c:6]1-[c:7]1[cH:8][c:9]2[c:10]([cH:16][cH:17]1)[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:19][CH2:20][CH2:21][CH2:22][S:23][c:24]1[n:25]([CH3:40])[c:26](-[c:29]2[c:30]3[cH:31][cH:32][c:33]([CH3:39])[n:34][c:35]3[cH:36][cH:37][cH:38]2)[n:27][n:28]1.[I-:42].[K+:47].[K+:48].[Na+:41].[OH2:54]>>[CH3:1][n:2]1[n:3][c:4]([CH3:18])[cH:5][c:6]1-[c:7]1[cH:8][c:9]2[c:10]([cH:16][cH:17]1)[CH2:11][CH2:12][N:13]([CH2:20][CH2:21][CH2:22][S:23][c:24]1[n:25]([CH3:40])[c:26](-[c:29]3[c:30]4[cH:31][cH:32][c:33]([CH3:39])[n:34][c:35]4[cH:36][cH:37][cH:38]3)[n:27][n:28]1)[CH2:14][CH2:15]2