HRID2142528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID70966

Vanillylamine

C8H11NO2

结构：Cc1cc(Cl)ccc1OCC(=O)N1Cc2ccc(C(=O)C(Cl)(Cl)Cl)n2Cc2ccccc21

HCID16039295

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CNC(=O)c2ccc3n2Cc2ccccc2N(C(=O)COc2ccc(Cl)cc2C)C3)ccc1O

HCID16039365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8546df67f23d4715acb9597526bef264
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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