HRID1238561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID57826676

1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C11H19BN2O2

结构：O=C(NC(Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=O)c1cc(Br)c(Cl)s1

HCID178523146

未命名化合物

PRODUCTS

生成物

结构：Cc1cnn(C)c1-c1cc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)sc1Cl

HCID178430943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c157d015db464a8c0d36024d94db70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[NH:10][CH:11]([CH2:12][N:13]2[C:14](=[O:23])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[C:21]2=[O:22])[CH2:24][c:25]2[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]2)[s:5][c:6]1[Cl:7].[C:35](=[O:36])([O-:37])[O-:38].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:41][n:42]1[n:43][cH:44][c:45]([CH3:56])[c:46]1[B:47]1[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]1.[Na+:39].[Na+:40]>>[c:2]1(-[c:46]2[n:42]([CH3:41])[n:43][cH:44][c:45]2[CH3:56])[cH:3][c:4]([C:8](=[O:9])[NH:10][CH:11]([CH2:12][N:13]2[C:14](=[O:23])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[C:21]2=[O:22])[CH2:24][c:25]2[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]2)[s:5][c:6]1[Cl:7]