HRID817664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75237

Benzoic acid, 2-phenoxy-

C13H10O3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)CNCc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1

HCID58531377

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1)C(=O)c1ccccc1Oc1ccccc1

HCID58531485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a0e5551dc8f46f68add7f92ff9f03d5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:66][CH2:67][N:68]=[C:69]=[N:70][CH2:71][CH2:72][CH2:73][N:74]([CH3:75])[CH3:76].[CH3:77][C:78]#[N:79].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[c:3]([OH:40])[c:4]([S:9](=[O:10])(=[O:11])[N:12]([CH2:13][c:14]2[cH:15][c:16]([CH2:20][NH:21][CH2:22][CH:23]([CH3:24])[CH3:25])[cH:17][cH:18][cH:19]2)[CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:31][cH:32]2)[cH:5][c:6]([Cl:8])[cH:7]1.[O:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[c:57]1[c:58]([C:59](=[O:60])[OH:61])[cH:62][cH:63][cH:64][cH:65]1>>[Cl:1][c:2]1[c:3]([OH:40])[c:4]([S:9](=[O:10])(=[O:11])[N:12]([CH2:13][c:14]2[cH:15][c:16]([CH2:20][N:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[C:59]([c:58]3[c:57]([O:50][c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:65][cH:64][cH:63][cH:62]3)=[O:61])[cH:17][cH:18][cH:19]2)[CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:31][cH:32]2)[cH:5][c:6]([Cl:8])[cH:7]1