HRID694540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66023

3-Phenylprop-2-enoyl chloride

C9H7ClO

结构：CCCCCCCCC#Cc1ccc(CNc2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

HCID11212285

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC#Cc1ccc(CN(C(=O)C=Cc2ccccc2)c2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

HCID68419178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1887396c1a64c5694c68aa8d6eeebc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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