HRID203533

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

HCID166653

Hydride

H-

结构：CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F

HCID9843657

未命名化合物

HCID10148986

3-(Methylamino)propan-1-ol

C4H11NO

PRODUCTS

生成物

结构：CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC(C)C(F)(F)F)c(F)c1

HCID11753543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0df6d2aa84294cb787d67ca597dc0955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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