HRID2152438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID71606

Cyclopentylacetic acid

C7H12O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67323281

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2c(NC(=O)CC3CCCC3)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67343793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36b24e9232b54da5910ce094e73641df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[N:38]1[CH2:39][CH2:40][CH:41]([NH:44][c:45]2[c:46]3[c:47]([n:48][cH:49][c:50]2[NH2:51])[n:52]([S:55](=[O:56])(=[O:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:53][cH:54]3)[CH2:42][CH2:43]1.[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH3:30].[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[CH:1]1([CH2:6][C:7](=[O:8])[OH:9])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:64][CH2:65][Cl:66].[ClH:19]>>[CH:1]1([CH2:6][C:7](=[O:9])[NH:51][c:50]2[c:45]([NH:44][CH:41]3[CH2:40][CH2:39][N:38]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])[CH2:43][CH2:42]3)[c:46]3[c:47]([n:48][cH:49]2)[n:52]([S:55](=[O:56])(=[O:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:53][cH:54]3)[CH2:2][CH2:3][CH2:4][CH2:5]1