HRID97223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID23082888

未命名化合物

结构：CC(C)(C)c1cc(-c2ccccc2)n(Cc2ccc(CO)cc2)n1

HCID23157326

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(OCc2ccc(Cn3nc(C(C)(C)C)cc3-c3ccccc3)cc2)cc1F

HCID23159891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f2bb8d14f84460a93a3bb421d465263
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

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