HRID1538558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID77486

2-(Benzylthio)ethanol

C9H12OS

结构：CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)Cl

HCID13189478

2-{4-[(3,5-Dichloropyridin-2-yl)oxy]phenoxy}propanoyl chloride

C14H10Cl3NO3

PRODUCTS

生成物

结构：CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OCCSCc1ccccc1

HCID13309474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e190ac510f3f452892cdc21e75c4cd57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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