HRID117549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID3588738

未命名化合物

结构：CCCc1nc(-n2c(C)ccc2C)c(C=CC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178440178

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(-n2c(C)ccc2C)c(C=CC(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178440180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c7af227a54649c698e98c7c8e1392b9
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

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