HRID1544074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID233240

2-Carboxybenzimidazole

C8H6N2O2

结构：Cc1cnc(CN(CCCCN)Cc2nccc3ccccc23)c(C)c1

HCID11187147

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(CCCCNC(=O)c2nc3ccccc3[nH]2)Cc2nccc3ccccc23)c(C)c1

HCID58997053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05f6e61b0d674fc39621caa89e8a6e86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][NH2:15])[CH2:16][c:17]2[n:18][cH:19][cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:27][C:28](=[O:29])[c:30]1[n:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[nH:38]1.[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:28](=[O:27])[c:30]2[nH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[n:38]2)[CH2:16][c:17]2[n:18][cH:19][cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)[n:4][cH:5][c:6]([CH3:8])[cH:7]1