HRID94556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID76646

1-Propanol, 3-(dimethylamino)-

C5H13NO

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：O=C(Nc1nccs1)c1nc(-c2ccc(O)cc2)[nH]c1-c1ccc(Cl)cc1

HCID178522577

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCOc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(Cl)cc3)[nH]2)cc1

HCID178483566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5cfa9d3fff5477990e709beeb46a2b6
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

[CH3:28][N:29]([CH2:30][CH2:31][CH2:32][OH:33])[CH3:34].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:20](=[O:21])[NH:22][c:23]3[s:24][cH:25][cH:26][n:27]3)[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]3)[nH:12]2)[cH:6][cH:7]1.[O:54]=[C:55]([O:56][CH2:57][CH3:58])[N:59]=[N:60][C:61]([O:62][CH2:63][CH3:64])=[O:65].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:20](=[O:21])[NH:22][c:23]3[s:24][cH:25][cH:26][n:27]3)[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([O:19][CH2:32][CH2:31][CH2:30][N:29]([CH3:28])[CH3:34])[cH:17][cH:18]3)[nH:12]2)[cH:6][cH:7]1