HRID95861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID79799

p-Tolueneboronic acid

C7H9BO2

HCID81531

Diisopropylethylamine

C8H19N

HCID86674711

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1c(C)nc2nc(C(C)C)nn2c1-c1ccc(C)cc1

HCID67258871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f927036755a74adda06dd15a2eecb2a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[c:3]([CH2:15][C:16](=[O:17])[O:18][CH3:19])[c:4]([CH3:14])[n:5][c:6]2[n:7]1[n:8][c:9]([CH:11]([CH3:12])[CH3:13])[n:10]2.[OH2:45].[c:20]1([CH3:29])[cH:21][cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]1>>[c:2]1(-[c:23]2[cH:22][cH:21][c:20]([CH3:29])[cH:25][cH:24]2)[c:3]([CH2:15][C:16](=[O:17])[O:18][CH3:19])[c:4]([CH3:14])[n:5][c:6]2[n:7]1[n:8][c:9]([CH:11]([CH3:12])[CH3:13])[n:10]2