HRID287875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN=[N+]=[N-])c1ccccc1

HCID173594877

未命名化合物

PRODUCTS

生成物

结构：CC(O)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN=[N+]=[N-])c1ccccc1

HCID178473410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f84434893244a67a12a75bffad91255
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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