HRID283921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID241652

(2-Amino-1-phenylethyl)dimethylamine

C10H16N2

结构：COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)cc1

HCID16038407

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCC(c4ccccc4)N(C)C)n3Cc3ccccc32)cc1

HCID16038408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6af96690e4e44ba90c90febe6e2c088
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:49][S:50]([CH3:51])=[O:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][C:61]#[N:62].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][cH:23][c:24](-[c:27]3[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)([Cl:35])[Cl:36].[NH2:37][CH2:38][CH:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[N:46]([CH3:47])[CH3:48]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][cH:23][c:24](-[c:27]3[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)[NH:37][CH2:38][CH:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[N:46]([CH3:47])[CH3:48]