HRID2350688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)ccnc32)cc1

HCID49758926

1-(4-Methylbenzene-1-sulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C20H23BN2O4S

结构：Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(Br)s1

HCID68998100

5-Bromo-2-methyl-4-(4-nitrophenyl)thiazole

C10H7BrN2O2S

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4sc(C)nc4-c4ccc([N+](=O)[O-])cc4)ccnc32)cc1

HCID69001198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b400d62303bb43c990032ff379381fb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[n:4][c:5]([CH3:7])[s:6]1.[CH3:17][c:18]1[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[n:27]2[cH:28][cH:29][c:30]3[c:31]2[n:32][cH:33][cH:34][c:35]3[B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:22][cH:23]1>>[c:2]1(-[c:35]2[c:30]3[cH:29][cH:28][n:27]([S:24]([c:21]4[cH:20][cH:19][c:18]([CH3:17])[cH:23][cH:22]4)(=[O:25])=[O:26])[c:31]3[n:32][cH:33][cH:34]2)[c:3](-[c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[n:4][c:5]([CH3:7])[s:6]1