HRID2123514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75567

4-Pyrrolidinopyridine

C9H12N2

HCID834662

9H-xanthen-9-ylacetic acid

C15H12O3

HCID5195381

DIETHYLPHOSPHINIC CHLORIDE

C4H10ClOP

HCID19966201

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CCC(=O)c2ccccc2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19965997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c98748f621374026baf0add5d4f1e2c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:33]([CH3:34])([CH3:35])([CH3:36])[c:37]1[c:38]([NH2:39])[cH:40][c:41]([CH2:44][CH2:45][C:46](=[O:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:42][cH:43]1.[CH2:8]([P:9]([Cl:10])([CH2:11][CH3:12])=[O:13])[CH3:14].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[N:54]1([c:55]2[cH:56][cH:57][n:58][cH:59][cH:60]2)[CH2:61][CH2:62][CH2:63][CH2:64]1.[cH:15]1[cH:16][cH:17][cH:18][c:19]2[c:28]1[CH:27]([CH2:29][C:30](=[O:31])[OH:32])[c:26]1[c:21]([cH:22][cH:23][cH:24][cH:25]1)[O:20]2.[cH:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[cH:15]1[cH:16][cH:17][cH:18][c:19]2[c:28]1[CH:27]([CH2:29][C:30](=[O:31])[NH:39][c:38]1[c:37]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:43][cH:42][c:41]([CH2:44][CH2:45][C:46](=[O:47])[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[cH:40]1)[c:26]1[c:21]([cH:22][cH:23][cH:24][cH:25]1)[O:20]2