HRID2143157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID996

Phenol

C6H6O

HCID4684

4-Chlorophenol

C6H5ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID76780

3-(4-Chlorophenoxy)propionic acid

C9H9ClO3

HCID78736

1H-Imidazole-1-propanamine

C6H11N3

HCID81596

3-Phenoxypropionic acid

C9H10O3

PRODUCTS

生成物

HCID18349808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afae93b52145451ea987fdb15a622793
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

[C:41]([n:42]1[cH:43][cH:44][n:45][cH:46]1)([n:47]1[cH:48][cH:49][n:50][cH:51]1)=[O:52].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][CH2:8][C:9](=[O:10])[OH:11])[cH:12][cH:13]1.[NH2:53][CH2:54][CH2:55][CH2:56][n:57]1[cH:58][n:59][cH:60][cH:61]1.[O:29]([CH2:30][CH2:31][C:32]([OH:33])=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[OH:14][c:15]1[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]1.[OH:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][CH2:8][C:9](=[O:11])[NH:53][CH2:54][CH2:55][CH2:56][n:57]2[cH:58][n:59][cH:60][cH:61]2)[cH:12][cH:13]1