HRID281182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID2795455

2-(1-Benzothiophen-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H17BO2S

结构：CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1Cl

HCID86674712

未命名化合物

PRODUCTS

生成物

结构：CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1ccc2sccc2c1

HCID67259298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ff11586baa24210a4a2893fc81f5b62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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