HRID206486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID459456

1H-Benzimidazole-6-carboxylic acid

C8H6N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1

HCID178452348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccca99203d824d03bce9cd7cd60a0e4c
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

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