HRID158009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID11776

Triphenylphosphine

C18H15P

HCID33558

Azide

N3-

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：CC(C)(C)OC(=O)N1C(CC2CCCCC2)C(C(O)C2CC2)OC1(C)C

HCID178451579

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(CC2CCCCC2)C(C(N=[N+]=[N-])C2CC2)OC1(C)C

HCID178451577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4c90ecd83b14099819a52fd0987ebcf
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

[CH:11]1([CH2:17][CH:18]2[N:19]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:20]([CH3:28])([CH3:29])[O:21][CH:22]2[CH:23]([OH:24])[CH:25]2[CH2:26][CH2:27]2)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[N-:2]=[N+:3]=[N-:4].[NH3:10].[Na+:1].[O:56]=[C:57]([O:58][CH2:59][CH3:60])[N:61]=[N:62][C:63]([O:64][CH2:65][CH3:66])=[O:67].[OH2:74].[S:5](=[O:6])(=[O:7])([OH:8])[OH:9].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[cH:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[N:2](=[N+:3]=[N-:4])[CH:23]([CH:22]1[CH:18]([CH2:17][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[N:19]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:20]([CH3:28])([CH3:29])[O:21]1)[CH:25]1[CH2:26][CH2:27]1