HRID1119574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID952089

1-Phenyl-1H-pyrazole-4-carbaldehyde

C10H8N2O

HCID5062348

未命名化合物

结构：CCOC(=O)c1csc2c1c(=O)n(C)c(=O)n2C(C)C

HCID16102858

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(O)c2cnn(-c3ccccc3)c2)sc2c1c(=O)n(C)c(=O)n2C(C)C

HCID69309829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbd36f7c29fd4e6e85ba97d01e1a5f6f
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

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][s:8][c:9]2[n:10]([CH:18]([CH3:19])[CH3:20])[c:11](=[O:17])[n:12]([CH3:16])[c:13](=[O:15])[c:14]12.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[C:41]1=[O:42].[CH3:44][CH:45]([N-:46][CH:47]([CH3:48])[CH3:49])[CH3:50].[CH3:57][C:58](=[O:59])[OH:60].[Li+:43].[OH2:56].[c:21]1(-[n:27]2[n:28][cH:29][c:30]([CH:32]=[O:33])[cH:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH:32]([c:30]2[cH:29][n:28][n:27](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:31]2)[OH:33])[s:8][c:9]2[n:10]([CH:18]([CH3:19])[CH3:20])[c:11](=[O:17])[n:12]([CH3:16])[c:13](=[O:15])[c:14]12