HRID2142328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID26082

Benzenemethanol, 2-chloro-.alpha.-methyl-

C8H9ClO

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID54752798

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-n2cnc(Nc3ccccc3)n2)cc1OC(C)c1ccccc1Cl

HCID54752952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7227ff4a4acd4e40b268601c7688b83d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:42][O:43][C:44](=[O:45])[c:46]1[s:47][c:48](-[n:52]2[n:53][c:54]([NH:57][c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[n:55][cH:56]2)[cH:49][c:50]1[OH:51].[Cl:20][c:21]1[c:22]([CH:27]([CH3:28])[OH:29])[cH:23][cH:24][cH:25][cH:26]1.[O:30]=[C:31]([O:32][CH2:33][CH3:34])[N:35]=[N:36][C:37]([O:38][CH2:39][CH3:40])=[O:41].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[Cl:20][c:21]1[c:22]([CH:27]([CH3:28])[O:29][c:50]2[c:46]([C:44]([O:43][CH3:42])=[O:45])[s:47][c:48](-[n:52]3[n:53][c:54]([NH:57][c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[n:55][cH:56]3)[cH:49]2)[cH:23][cH:24][cH:25][cH:26]1