HRID1146390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID71606

Cyclopentylacetic acid

C7H12O2

结构：CCn1cc(Cc2ccc(C(=O)OC)cc2OC)c2cc(N)ccc21

HCID23365902

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(Cc2ccc(C(=O)OC)cc2OC)c2cc(NC(=O)CC3CCCC3)ccc21

HCID14626833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf7ca8662a9401885ac4bb6a9558677
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

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