HRID948222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID602

DL-Alanine

C3H7NO2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(Nc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1)c1cc2ccccc2o1

HCID86058865

未命名化合物

PRODUCTS

生成物

结构：CC(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1)C(=O)O

HCID178465731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7612c6ff48848d0ae0864c3b5ac0e8d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:50][C:51]#[N:52].[CH:7]([N:8]([CH2:9][CH3:10])[CH:11]([CH3:12])[CH3:13])([CH3:14])[CH3:15].[NH2:1][CH:2]([CH3:3])[C:4](=[O:5])[OH:6].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44].[o:16]1[c:17]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]3)[cH:32][cH:33]2)[cH:18][c:19]2[c:20]1[cH:21][cH:22][cH:23][cH:24]2>>[NH:1]([CH:2]([CH3:3])[C:4](=[O:5])[OH:6])[S:40]([c:37]1[cH:36][cH:35][c:34](-[c:31]2[cH:30][cH:29][c:28]([NH:27][C:25]([c:17]3[o:16][c:20]4[c:19]([cH:18]3)[cH:24][cH:23][cH:22][cH:21]4)=[O:26])[cH:33][cH:32]2)[cH:39][cH:38]1)(=[O:41])=[O:42]