HRID309795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID2776398

3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid

C9H11BO4

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-c1ccc2c(c1)OCCCO2

HCID67259657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16a30b829f6d49b89ffe0de88c55166e
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:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[O:24]1[c:25]2[c:26]([cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]2)[O:27][CH2:28][CH2:29][CH2:30]1>>[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:32]2[cH:31][c:26]3[c:25]([cH:34][cH:33]2)[O:24][CH2:30][CH2:29][CH2:28][O:27]3)[cH:23]1