HRID2148796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID75332

(3-Chlorophenyl)hydrazine

C6H7ClN2

结构：CC(C)(C)OC(=O)N1CCc2nn(-c3cccc(Cl)c3)c(-c3ccccc3)c2CC1

HCID67269650

未命名化合物

结构：CC(C)(C)OC(=O)N1CCc2nn(-c3cccc(Cl)c3)c(OS(=O)(=O)C(F)(F)F)c2CC1

HCID86598382

未命名化合物

PRODUCTS

生成物

结构：Clc1cccc(-n2nc3c(c2-c2ccccc2)CCNCC3)c1

HCID24871616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70c332cdb6464360aac2747213fa3308
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:13](-[c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]3)[n:14][c:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[C:31]([O:32][C:33]([N:34]1[CH2:35][CH2:36][c:37]2[c:38]([c:39]([O:40][S:41]([C:42]([F:43])([F:44])[F:45])(=[O:46])=[O:47])[n:48](-[c:49]3[cH:50][cH:51][cH:52][c:53]([Cl:54])[cH:55]3)[n:56]2)[CH2:57][CH2:58]1)=[O:59])([CH3:60])([CH3:61])[CH3:62].[Cl:63][c:64]1[cH:65][c:66]([NH:67][NH2:68])[cH:69][cH:70][cH:71]1.[OH:72][B:73]([c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[OH:80]>>[NH:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[n:13](-[c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]3)[n:14][c:15]2[CH2:16][CH2:17]1