HRID87610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：CCc1nc2cc(Cl)c(Cl)cc2n1-c1ccc(C2CC(O)C2)cc1

HCID21876411

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2cc(Cl)c(Cl)cc2n1-c1ccc(C2CC(N=[N+]=[N-])C2)cc1

HCID21875716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6061c058cfd94a88a74a383056dbac3c
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

[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6](-[c:11]3[cH:12][cH:13][c:14]([CH:17]4[CH2:18][CH:19]([OH:21])[CH2:20]4)[cH:15][cH:16]3)[c:7]([CH2:9][CH3:10])[n:8]2)[cH:22][c:23]1[Cl:24].[O:61]=[C:62]([O:63][CH2:64][CH3:65])[N:66]=[N:67][C:68]([O:69][CH2:70][CH3:71])=[O:72].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)(=[O:52])[N:58]=[N+:59]=[N-:60])[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6](-[c:11]3[cH:12][cH:13][c:14]([CH:17]4[CH2:18][CH:19]([N:58]=[N+:59]=[N-:60])[CH2:20]4)[cH:15][cH:16]3)[c:7]([CH2:9][CH3:10])[n:8]2)[cH:22][c:23]1[Cl:24]