HRID1238446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID4156937

未命名化合物

结构：CC(C)c1csc(C=Cc2ccn3c(=O)cc(O)nc3c2)n1

HCID141588971

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C1CCCN(c2cc(=O)n3ccc(C=Cc4nc(C(C)C)cs4)cc3n2)C1

HCID69603271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5b79ae1bfc2493d8ebade531cf1cea8
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

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