HRID1556977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6108

4-Nitrobenzoic acid

C7H5NO4

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CN(C(=O)OCc2ccccc2)CC1O

HCID22147271

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CN(C(=O)OCc2ccccc2)CC1OC(=O)c1ccc([N+](=O)[O-])cc1

HCID22147499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ddd241257644e4a1011c6cb53191da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:83](=[O:84])([OH:85])[O-:86].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([NH:17][c:18]2[n:19][c:20]([CH2:34][CH3:35])[c:21](-[c:26]3[c:27]([Cl:33])[cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[n:22][c:23]2[CH2:24][CH3:25])[CH:14]([OH:16])[CH2:15]1.[N+:36](=[O:37])([O-:38])[c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47]1.[N:67]([C:68]([O:69][C:70]([CH3:71])([CH3:72])[CH3:73])=[O:74])=[N:75][C:76]([O:77][C:78]([CH3:79])([CH3:80])[CH3:81])=[O:82].[Na+:87].[O:88]1[CH2:89][CH2:90][CH2:91][CH2:92]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([NH:17][c:18]2[n:19][c:20]([CH2:34][CH3:35])[c:21](-[c:26]3[c:27]([Cl:33])[cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[n:22][c:23]2[CH2:24][CH3:25])[CH:14]([O:16][C:43]([c:42]2[cH:41][cH:40][c:39]([N+:36](=[O:37])[O-:38])[cH:47][cH:46]2)=[O:44])[CH2:15]1