HRID200443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6813

Benzoic acid, 2-benzoyl-

C14H10O3

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2N([SH](=O)=O)C(C)(C)C)cc1F

HCID178440105

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(Cl)c(COC(=O)c2ccccc2C(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2N([SH](=O)=O)C(C)(C)C)cc1F

HCID178440104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a104613bba7c4b11887a25a4fa746a9c
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:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16][cH:17]1.[C:42]([CH3:43])([CH3:44])([CH3:45])[N:46]([SH:47](=[O:48])=[O:49])[c:50]1[c:51](-[c:56]2[cH:57][c:58]([F:74])[c:59]([CH2:62][n:63]3[c:64]([CH2:71][CH2:72][CH3:73])[n:65][c:66]([Cl:70])[c:67]3[CH2:68][OH:69])[cH:60][cH:61]2)[cH:52][cH:53][cH:54][cH:55]1.[CH3:33][N:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][n:40]1)[CH3:41].[CH:18]1([N:19]=[C:20]=[N:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[Cl:75][CH2:76][Cl:77]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([C:11](=[O:12])[O:13][CH2:68][c:67]2[n:63]([CH2:62][c:59]3[c:58]([F:74])[cH:57][c:56](-[c:51]4[c:50]([N:46]([C:42]([CH3:43])([CH3:44])[CH3:45])[SH:47](=[O:48])=[O:49])[cH:55][cH:54][cH:53][cH:52]4)[cH:61][cH:60]3)[c:64]([CH2:71][CH2:72][CH3:73])[n:65][c:66]2[Cl:70])[cH:14][cH:15][cH:16][cH:17]1