HRID1231941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc(Cl)cc1C(=O)N=c1sc(C(C)(C)C)cn1CC1(O)CCCCC1

HCID66851559

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C(=O)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CCCCC1

HCID66851640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed88b04a7dac4271a40b75bb5c7a6b32
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][C:23]2([OH:29])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[O:21])[s:9]1.[CH3:30][C:31](=[O:32])[O:33][C:34](=[O:35])[CH3:36].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:22][C:23]2([O:29][C:31]([CH3:30])=[O:32])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[O:21])[s:9]1