HRID159965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID230717

N-(4-Chlorophenyl)glycine

C8H8ClNO2

HCID423869

未命名化合物

PRODUCTS

生成物

结构：O=C(CNc1ccc(Cl)cc1)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

HCID20460567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bd722cc0e0447a8a7df2ce15a21b29a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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