HRID933413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1c(-c2cccc(F)c2F)c(F)c2oc(C3CC3)nc2c1C#N

HCID68586992

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2cccc(F)c2F)c(N2CCC(N(C)C)C2)c2oc(C3CC3)nc2c1C#N

HCID77526440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4f48ea1a1b4434383a50256ea538262
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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