HRID108927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

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

HCID3857574

Benzenesulfinate

C6H5O2S-

HCID86244439

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(C)c(-c2cncc(S(=O)(=O)c3ccccc3)c2)s1

HCID86244440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0901734f0a0246d8912db506ae4dc04e
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

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