HRID1142868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID75452

4-Methoxybenzylamine

C8H11NO

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

HCID51042335

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2c(-c3ccccc3)c(C)c(C#N)c3nc(C(=O)N(C)C)oc23)cc1

HCID68585519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f9f06f2f0c7470c9e47890444817b2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4]([CH3:24])[c:5](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:6]([F:17])[c:7]2[c:8]1[n:9][c:10]([C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[o:11]2.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([CH2:38][NH2:39])[cH:40][cH:41]1.[CH3:42][S:43](=[O:44])[CH3:45]>>[C:1](#[N:2])[c:3]1[c:4]([CH3:24])[c:5](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:6]([NH:39][CH2:38][c:37]2[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:41][cH:40]2)[c:7]2[c:8]1[n:9][c:10]([C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[o:11]2