HRID92154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccccc3)c(-c3ccc(C#N)cc3)ccn2c1=O

HCID16004909

未命名化合物

结构：Cc1c(Br)c(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID57799427

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID57799458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b777a5e0f91949b480c8d4dbf04ad565
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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