HRID93582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

结构：Cc1cc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)ccc1-c1c(C)cccc1C

HCID68687149

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1c(C)cccc1C

HCID15951604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53c02417efa64331b8fa91a9454ce74f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:46][S:47]([CH3:48])=[O:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][C:58]#[N:59].[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][c:23]([CH3:35])[c:24](-[c:27]3[c:28]([CH3:34])[cH:29][cH:30][cH:31][c:32]3[CH3:33])[cH:25][cH:26]1)[CH2:9]2)([Cl:36])[Cl:37].[NH2:38][CH2:39][c:40]1[cH:41][n:42][cH:43][cH:44][cH:45]1>>[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][c:23]([CH3:35])[c:24](-[c:27]3[c:28]([CH3:34])[cH:29][cH:30][cH:31][c:32]3[CH3:33])[cH:25][cH:26]1)[CH2:9]2)[NH:38][CH2:39][c:40]1[cH:41][n:42][cH:43][cH:44][cH:45]1