HRID2344650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15049977

Methyl 5-amino-2-methylbenzoate

C9H11NO2

反应SMILES：Cc1ccc2c(c1)N(CC(=O)c1ccccc1C)C(=O)C(N)CN2C(=O)C(C)(C)C

HCID21201617

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)ccc1C

HCID21201919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-80731f69d3d5459e87d2cf5c521da5f0
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

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