HRID1235023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID18622071

未命名化合物

HCID18667537

未命名化合物

PRODUCTS

生成物

结构：CCNC(=NC1CCN(c2cc(C)ccn2)C1)NC(=O)OC(C)(C)C

HCID178464555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd5b7cf5dbf14b5f83f6dffa239c0130
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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