HRID2139979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

HCID57845437

未命名化合物

HCID57845447

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)n1ccc2cc(OCCCNc3nc(Cl)ncc3F)ccc21

HCID57845441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-facffaf38f514c51a6b68a6ca78d7368
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

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