HRID106272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccccc1

HCID607632

Stannane, tributylphenyl-

C18H32Sn

结构：CC(C)(C)OC(=O)N1CC2CN(c3nc(Br)cs3)CC2C1

HCID66846940

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3nc(-c4ccccc4)cs3)CC2C1

HCID66846698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c76c8eb2d89475da312a6bd220fb8fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][N:12]([c:16]3[s:17][cH:18][c:19]([Br:21])[n:20]3)[CH2:13][CH:14]2[CH2:15]1.[CH2:22]([Sn:23]([CH2:24][CH2:25][CH2:26][CH3:33])([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH3:40].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cs+:42].[F-:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][N:12]([c:16]3[s:17][cH:18][c:19](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:20]3)[CH2:13][CH:14]2[CH2:15]1