HRID2338329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6329

Methylamine

CH5N

HCID8857

Ethyl Acetate

C4H8O2

反应SMILES：COc1cc2c(cc1Nc1nc(Nc3ccccc3C(N)=O)c3ccnc-3[nH]1)N(C(=O)CN(C)C)CC2

HCID178486466

未命名化合物

PRODUCTS

产物

反应SMILES：CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)[nH]c2nccc1-2

HCID178485308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-91f49d768dd94cb29b9067cadc960146
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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