HRID1146820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11300488

未命名化合物

HCID21709141

2-Phenylpyrimidine-4-carboxylic acid

C11H8N2O2

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccnc(-c3ccccc3)n2)cc1-c1ccc(C(=O)NCC2CC2)cc1

HCID69204169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a66631ab5e8426ea1ab66a8e9b6c82d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH2:17][CH:18]3[CH2:19][CH2:20]3)[cH:12][cH:13]2)[cH:7]1.[c:22]1(-[c:28]2[n:29][cH:30][cH:31][c:32]([C:34](=[O:35])[OH:36])[n:33]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH2:17][CH:18]3[CH2:19][CH2:20]3)[cH:12][cH:13]2)[cH:7]1)[C:34]([c:32]1[cH:31][cH:30][n:29][c:28](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:33]1)=[O:35]