HRID699904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C4OC4CCc4ccccc4)cc3)cc2)CC1

HCID86652399

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CC(=O)CCc4ccccc4)cc3)cc2)CC1

HCID66577360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c9d6ef8544e445ab251b5ce1f541493
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

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH:27]5[O:28][CH:29]5[CH2:30][CH2:31][c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[OH2:50].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH2:27][C:29](=[O:28])[CH2:30][CH2:31][c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1