HRID664795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID3719902

4-(2-morpholinoethoxy)benzaldehyde

C13H17NO3

结构：CC(c1ccc2c(c1)SC(C)(C)S2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID19935457

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(=Cc1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)SC(C)(C)S2

HCID173341734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9104451fbf84e0f92e813c294d706de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br-:1].[CH2:34]([Li:35])[CH2:36][CH2:37][CH3:38].[CH3:2][C:3]1([CH3:33])[S:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]([CH3:13])[P+:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:11]2)[S:7]1.[CH3:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66].[O:39]1[CH2:40][CH2:41][N:42]([CH2:45][CH2:46][O:47][c:48]2[cH:49][cH:50][c:51]([CH:52]=[O:53])[cH:54][cH:55]2)[CH2:43][CH2:44]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[CH3:2][C:3]1([CH3:33])[S:4][c:5]2[c:6]([cH:8][cH:9][c:10]([C:12]([CH3:13])=[CH:52][c:51]3[cH:50][cH:49][c:48]([O:47][CH2:46][CH2:45][N:42]4[CH2:41][CH2:40][O:39][CH2:44][CH2:43]4)[cH:55][cH:54]3)[cH:11]2)[S:7]1