HRID281590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID145211

3,5-Difluorobenzylamine

C7H7F2N

HCID4641409

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

C10H15N6O+

HCID67287463

未命名化合物

PRODUCTS

生成物

结构：CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cc(F)cc(F)c1

HCID56962683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0ae3e07029947059de63b432741ec2e
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

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