HRID282346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID11356212

6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid

C12H14O3

HCID58118636

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCC(C(=O)NC(C)c1cc(C)c(NS(C)(=O)=O)cc1F)C2

HCID58118616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76e74e34d49246458927ee391e9e1c1a
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

[CH3:17][O:18][c:19]1[cH:20][c:21]2[c:26]([cH:27][cH:28]1)[CH2:25][CH:24]([C:29](=[O:30])[OH:31])[CH2:23][CH2:22]2.[CH3:39][N+:40]([CH3:41])=[C:42]([N:43]([CH3:44])[CH3:45])[O:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]([CH3:16])[c:7]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:8][c:9]1[F:10].[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38]>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][c:6]([CH3:16])[c:7]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:8][c:9]1[F:10])[C:29]([CH:24]1[CH2:23][CH2:22][c:21]2[cH:20][c:19]([O:18][CH3:17])[cH:28][cH:27][c:26]2[CH2:25]1)=[O:30]