HRID89807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID66082

N-(2-Aminoethyl)acetamide

C4H10N2O

结构：Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(C(=O)Cl)cc3C)cc12

HCID86652358

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCNC(=O)c1ccc(CCc2cnc3c(N)nc4cc(C)ccc4c3c2)c(C)c1

HCID66893244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdd3882c873e4f77a2cc02249daa187c
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

[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[cH:7][c:8]([CH2:12][CH2:13][c:14]4[c:15]([CH3:23])[cH:16][c:17]([C:18](=[O:19])[Cl:20])[cH:21][cH:22]4)[cH:9][n:10][c:11]13)[cH:24][cH:25][c:26]([CH3:28])[cH:27]2.[NH2:36][CH2:37][CH2:38][NH:39][C:40]([CH3:41])=[O:42].[OH2:49]>>[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[cH:7][c:8]([CH2:12][CH2:13][c:14]4[c:15]([CH3:23])[cH:16][c:17]([C:18](=[O:19])[NH:36][CH2:37][CH2:38][NH:39][C:40]([CH3:41])=[O:42])[cH:21][cH:22]4)[cH:9][n:10][c:11]13)[cH:24][cH:25][c:26]([CH3:28])[cH:27]2