HRID306695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID4356513

Ethyl 2-(2-aminothiazol-4-yl)glyoxylate

C7H8N2O3S

反应SMILES：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Cl

HCID12067654

2-(3-Chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

C15H19ClO4S

PRODUCTS

产物

反应SMILES：CCOC(=O)C(=O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID20707084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9755f4e3a65f49bab2cd5983a2d6a27e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:49]([CH3:50])[O:51][C:52]([C:53]([c:54]1[n:55][c:56]([NH2:59])[s:57][cH:58]1)=[O:60])=[O:61].[CH2:68]([Cl:69])[Cl:70].[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[OH:42])[CH2:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38].[OH2:71].[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.[cH:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:42])[NH:59][c:56]2[n:55][c:54]([C:53]([C:52]([O:51][CH2:49][CH3:50])=[O:61])=[O:60])[cH:58][s:57]2)[CH2:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38]