HRID136667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6329

Methylamine

CH5N

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc2c(c1CCN1CCC(n3ccc4ccc(C(=O)O)cc43)CC1)OC(C)(C)CC2=O

HCID59439467

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc2ccn(C3CCN(CCc4c(OC)ccc5c4OC(C)(C)CC5=O)CC3)c2c1

HCID11677552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe8a9698cd894dcab46542932cd631eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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