HRID1124482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6341

Ethanamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

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

C7H6N4O

结构：O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CCNCC1

HCID67089852

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(C=Cc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)n2ccnc2)CC1

HCID67090141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0e1162e1dce401f846ec056f040beba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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