HRID2127940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID7010315

未命名化合物

HCID11673246

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CC)c1-c1cc2ccn(C(=O)c3cc(C(C)(C)C)ccc3OC)c2cn1

HCID58269958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2303086d6c6d408787cde1c8e6353e49
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:5]([CH3:6])([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([O:18][CH3:19])[c:13]([C:14](=[O:15])[OH:16])[cH:17]1.[CH2:20]([CH3:21])[c:22]1[c:23](-[c:30]2[cH:31][c:32]3[c:33]([cH:34][n:35]2)[nH:36][cH:37][cH:38]3)[c:24]([CH2:28][CH3:29])[cH:25][cH:26][cH:27]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:48][CH2:49][Cl:50].[S:1]([Cl:2])([Cl:3])=[O:4]>>[C:5]([CH3:6])([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([O:18][CH3:19])[c:13]([C:14](=[O:16])[n:36]2[c:33]3[c:32]([cH:31][c:30](-[c:23]4[c:22]([CH2:20][CH3:21])[cH:27][cH:26][cH:25][c:24]4[CH2:28][CH3:29])[n:35][cH:34]3)[cH:38][cH:37]2)[cH:17]1