HRID1571119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7504

Benzylamine

C7H9N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：COCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

HCID178495907

未命名化合物

PRODUCTS

生成物

结构：COCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1

HCID57734154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-190d1d35351c4bd8ae72067d147ab78c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:35]([O:36][C:37]([Cl:38])=[O:39])[CH:40]([CH3:41])[CH3:42].[CH2:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[NH2:50].[CH3:1][O:2][CH2:3][CH:4]([NH:5][C:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:25](=[O:26])[OH:27].[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[CH3:1][O:2][CH2:3][CH:4]([NH:5][C:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:25](=[O:26])[NH:50][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1