HRID1138140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6639

Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)

C9H11ClO3S

结构：COc1cc2c(cc1O)CN(CCCCCC(C#N)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2

HCID10530307

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCCCN2Cc3cc(OC)c(OCCCl)cc3C2)Sc2ccc(C)cc2)cc1OC

HCID10746053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fb4d257f1d8456a89408c17abe9e31f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([C:12]#[N:13])([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][c:21]3[cH:22][c:23]([O:29][CH3:30])[c:24]([OH:28])[cH:25][c:26]3[CH2:27]2)[S:31][c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([O:45][CH2:49][CH2:50][Cl:51])(=[O:46])=[O:47])[cH:48][cH:52]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([C:12]#[N:13])([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][c:21]3[cH:22][c:23]([O:29][CH3:30])[c:24]([O:28][CH2:49][CH2:50][Cl:51])[cH:25][c:26]3[CH2:27]2)[S:31][c:32]2[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]2)[cH:6][cH:7][c:8]1[O:9][CH3:10]