HRID180082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1c(-c2ccccc2)c(F)c2oc(C(=O)N(C)CC(=O)N(C)C)nc2c1C#N

HCID68585307

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(C(=O)N(C)CC(=O)N(C)C)nc2c1C#N

HCID77526419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68accff8bc2c4a66a25a26083de17f8f
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

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