HRID99325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：O=C(O)Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID68996013

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1)NCCO

HCID58980056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39455f148d384220b670413f5ce9404a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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