HRID159149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：Cc1[nH]c2ccc(OC(C)(C)C(=O)O)cc2c1C(=O)OCc1ccccc1

HCID23393813

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)C(C)(C)Oc1ccc2[nH]c(C)c(C(=O)OCc3ccccc3)c2c1

HCID10159262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f846aeb39e1e43cdbadecca198b2565f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[c:11]1[c:12]([CH3:27])[nH:13][c:14]2[cH:15][cH:16][c:17]([O:20][C:21]([CH3:22])([CH3:23])[C:24](=[O:25])[OH:26])[cH:18][c:19]12.[CH2:28]([CH3:29])[NH:30][CH2:31][CH3:32].[CH2:57]([O:58][C:59](=[O:60])[CH3:61])[CH3:62].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[c:11]1[c:12]([CH3:27])[nH:13][c:14]2[cH:15][cH:16][c:17]([O:20][C:21]([CH3:22])([CH3:23])[C:24](=[O:26])[N:30]([CH2:28][CH3:29])[CH2:31][CH3:32])[cH:18][c:19]12