HRID146132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6115

Aniline

C6H7N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

结构：Cc1ccc(S(=O)(=O)n2ccc3cc(Br)cnc32)cc1

HCID22477353

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3cc(Nc4ccccc4)cnc32)cc1

HCID67131718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4aec9c9624441d6a40b803e0564c528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2.[C:63](=[O:64])([O-:65])[O-:66].[CH3:21][C:22]1([CH3:23])[c:24]2[cH:25][cH:26][cH:27][c:28]([P:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]2[O:43][c:44]2[c:45]1[cH:46][cH:47][cH:48][c:49]2[P:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Cs+:67].[Cs+:68].[NH2:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([NH:69][c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2