HRID112176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID21937291

2',6'-Dimethyl[1,1'-biphenyl]-4-carboxylic acid

C15H14O2

HCID22053658

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

HCID15951606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a846a2cbb2c94bb1827d2a005c1d3106
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

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