HRID177358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID978

4-Aminobenzoic acid

C7H7NO2

HCID6344

Dichloromethane

CH2Cl2

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：CC12CCC(OC(=O)c3ccc(N)cc3)CC1=CCC1C2CCC2(C)C(=NO)CCC12

HCID178421404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3ef9eed7afe4076bde9bf4071f8c4b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[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.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][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)[cH:9][cH:10]1