HRID2330669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID261591

7H-Pyrrolo[2,3-d]pyrimidine

C6H5N3

结构：COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)cn1

HCID57619225

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4ncncc34)cn2)cn1

HCID57963192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f097bf1e7c046a4810c9afe5031ede8
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

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