HRID1544513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1c(-c2ccccc2)c(F)c2oc(N3CCOCC3)nc2c1C#N

HCID68584434

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(N3CCOCC3)nc2c1C#N

HCID77526364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f40a67e0c07144729f8973fd2d709f93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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