HRID203852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID2759552

4'-Methoxy[1,1'-biphenyl]-4-carboxylic acid

C14H12O3

结构：COc1ccc(CNS(=O)(=O)c2ccc3snc(NCCCN)c3c2)cc1

HCID58727088

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNS(=O)(=O)c2ccc3snc(NCCCNC(=O)c4ccc(-c5ccc(OC)cc5)cc4)c3c2)cc1

HCID58726908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73e8a03cae014971b1090b51b4594b27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:18]([P:19](=[O:20])([O:21][CH2:22][CH3:23])[O:24][CH2:25][CH3:26])#[N:27].[CH2:62]([Cl:63])[Cl:64].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[ClH:65].[NH2:35][CH2:36][CH2:37][CH2:38][NH:39][c:40]1[n:41][s:42][c:43]2[c:44]1[cH:45][c:46]([S:49](=[O:50])(=[O:51])[NH:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([O:60][CH3:61])[cH:58][cH:59]1)[cH:47][cH:48]2>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:17])[NH:35][CH2:36][CH2:37][CH2:38][NH:39][c:40]3[n:41][s:42][c:43]4[c:44]3[cH:45][c:46]([S:49](=[O:50])(=[O:51])[NH:52][CH2:53][c:54]3[cH:55][cH:56][c:57]([O:60][CH3:61])[cH:58][cH:59]3)[cH:47][cH:48]4)[cH:13][cH:14]2)[cH:7][cH:8]1