HRID1203823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID8101

1-Bromohexane

C6H13Br

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CCCCc1ccc(C#Cc2ccc(CNc3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

HCID11419288

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)c1ccc2c(c1)OC(C)(C)OC2=O

HCID11540943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4aff1a00a9074d1c9709297c8c191dfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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