HRID2141404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8082

Piperidine

C5H11N

HCID21222518

未命名化合物

结构：O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1Br

HCID54721639

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(C)C)c(SC2=C(O)CC(CCc3ccccc3)(c3ccccc3)OC2=O)c1

HCID54689018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8fca7d2346f48b083994dc925827d60
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

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