HRID88839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID602320

Methyl 2-amino-3-methoxybenzoate

C9H11NO3

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2ccccc21

HCID11341306

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1N(C(=O)OC(C)C)CCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)=O

HCID59003134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5401f91eccd489780bae8384803b340
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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