HRID1227769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=c1oc2cc(Br)ccc2n1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID3097018

未命名化合物

HCID13324658

tert-Butyl 3-sulfanylpyrrolidine-1-carboxylate

C9H17NO2S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Sc2ccc3c(c2)oc(=O)n3C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

HCID69927165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-523f43b8bb7543e3a9e8eac5fbce057d
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:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([C:10]([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:7](=[O:9])[o:8]2)[cH:29][cH:30]1.[C:31](=[O:32])([O-:33])[O-:34].[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[N:44]1[CH2:45][CH:46]([SH:49])[CH2:47][CH2:48]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cs+:35].[Cs+:36]>>[c:2]1([S:49][CH:46]2[CH2:45][N:44]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH2:48][CH2:47]2)[cH:3][c:4]2[c:5]([n:6]([C:10]([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:7](=[O:9])[o:8]2)[cH:29][cH:30]1