HRID1131056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])c(C(C)C)c1

HCID371707

未命名化合物

HCID3280088

未命名化合物

结构：COc1ccc(N(C(=O)CN2C(=O)CC(=O)N(c3cccnc3)c3cc(F)ccc32)C(C)C)cc1

HCID54087395

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C(=O)CN2C(=O)C(N=[N+]=[N-])C(=O)N(c3cccnc3)c3cc(F)ccc32)C(C)C)cc1

HCID18929576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eccad54abbcc44deaf685749c4d774b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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