HRID317307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID76646

1-Propanol, 3-(dimethylamino)-

C5H13NO

HCID166653

Hydride

H-

反应SMILES：CN(C#N)c1nc(Cl)c(-c2c(F)cc(F)cc2F)c(NCC(F)(F)F)n1

HCID11395341

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(N(C)C#N)nc2NCC(F)(F)F)c(F)c1

HCID11202410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a1337467ede94b43af3d7d0cde126dff
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

[CH3:36][S:37]([CH3:38])=[O:39].[CH3:3][N:4]([CH2:5][CH2:6][CH2:7][OH:8])[CH3:9].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:10][c:11]1[n:12][c:13]([N:32]([C:33]#[N:34])[CH3:35])[n:14][c:15]([NH:26][CH2:27][C:28]([F:29])([F:30])[F:31])[c:16]1-[c:17]1[c:18]([F:25])[cH:19][c:20]([F:24])[cH:21][c:22]1[F:23].[H-:1].[Na+:2]>>[CH3:3][N:4]([CH2:5][CH2:6][CH2:7][O:8][c:20]1[cH:19][c:18]([F:25])[c:17](-[c:16]2[c:11]([Cl:10])[n:12][c:13]([N:32]([C:33]#[N:34])[CH3:35])[n:14][c:15]2[NH:26][CH2:27][C:28]([F:29])([F:30])[F:31])[c:22]([F:23])[cH:21]1)[CH3:9]