HRID164752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID16086086

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C14H19BO4

HCID25129478

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)O)cc1-c1ccc2c(N3CCOCC3)nncc2c1

HCID25193063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f1f106a041d4c46a846b820e0dbe771
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1.[CH3:18][c:19]1[c:20]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]1.[CH3:38][CH2:39][OH:40].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[OH2:37]>>[c:2]1(-[c:20]2[c:19]([CH3:18])[cH:27][cH:26][c:22]([C:23](=[O:24])[OH:25])[cH:21]2)[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1