HRID2345719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID36704

(Diethoxyphosphoryl)acetic acid

C6H13O5P

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(=O)CC1

HCID22736171

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(=CC(=O)O)CC1

HCID22736272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19946f4359644cdab327b14b2c3ac305
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

[CH2:13]([O:14][P:15]([O:16][CH2:17][CH3:18])(=[O:19])[CH2:21][C:22](=[O:23])[OH:24])[CH3:20].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[NH2:25][c:26]1[c:27]2[c:28]([n:29][cH:30][n:31]1)[n:32]([CH:48]1[CH2:49][CH2:50][C:51](=[O:54])[CH2:52][CH2:53]1)[cH:33][c:34]2-[c:35]1[cH:36][cH:37][c:38]([O:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:39][cH:40]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH:21]([C:22](=[O:23])[OH:24])=[C:51]1[CH2:50][CH2:49][CH:48]([n:32]2[c:28]3[c:27]([c:26]([NH2:25])[n:31][cH:30][n:29]3)[c:34](-[c:35]3[cH:36][cH:37][c:38]([O:41][c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:39][cH:40]3)[cH:33]2)[CH2:53][CH2:52]1