HRID113824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID3016174

1-Chloroethyl 2,2-dimethylpropanoate

C7H13ClO2

结构：Cc1nc(NC(=O)Cc2cccc3[nH]ncc23)sc1C(=O)NC(CNC(=O)c1cccs1)C(=O)O

HCID75602336

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NC(=O)Cc2cccc3[nH]ncc23)sc1C(=O)NC(CNC(=O)c1cccs1)C(=O)OC(C)OC(=O)C(C)(C)C

HCID72681914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9be27a761a448759c69bc523f9155d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:36][CH:37]([CH3:38])[O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45].[I-:54].[Na+:53].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[nH:1]1[n:2][cH:3][c:4]2[c:5]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[s:15][c:16]([C:20](=[O:21])[NH:22][CH:23]([C:24](=[O:25])[OH:26])[CH2:27][NH:28][C:29](=[O:30])[c:31]4[s:32][cH:33][cH:34][cH:35]4)[c:17]([CH3:19])[n:18]3)[cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][cH:3][c:4]2[c:5]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[s:15][c:16]([C:20](=[O:21])[NH:22][CH:23]([C:24]([O:25][CH:37]([CH3:38])[O:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])=[O:26])[CH2:27][NH:28][C:29](=[O:30])[c:31]4[s:32][cH:33][cH:34][cH:35]4)[c:17]([CH3:19])[n:18]3)[cH:6][cH:7][cH:8][c:9]12