HRID295349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID69221

Glycine methyl ester

C3H7NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)O)cc3Cl)cc2)nc1C(N)=O

HCID49847173

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(Cl)c1

HCID67285289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cf4be4f423343a0b560b6c04a70977a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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