HRID1146418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7470

4-Methylbenzoic acid

C8H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CC12CCC(O)CC1=CCC1C2CCC2(C)C(=NO)CCC12

HCID3889514

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(=NO)CCC43)C2)cc1

HCID178425872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd8a68d39ad14009a61108067df6967c
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

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