HRID2128498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID77922

tert-Butyl carbamate

C5H11NO2

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

HCID86625277

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(Sc2ccc3c(C(=O)O)cccc3c2)ncn1

HCID67405667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5528878db3ec4724859e0b751cc61465
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:22](=[O:23])([O-:24])[O-:25].[C:70]([CH3:71])([CH3:72])([CH3:73])[O:74][C:75]([NH2:76])=[O:77].[CH3:98][CH2:99][O:100][C:101]([CH3:102])=[O:103].[Cl:1][c:2]1[cH:3][c:4]([S:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1.[Cs+:26].[Cs+:27].[O:91]1[CH2:92][CH2:93][O:94][CH2:95][CH2:96]1.[OH2:97].[OH:78][C:79]([CH2:80][C:81]([C:82](=[O:83])[OH:84])([CH2:85][C:86](=[O:87])[OH:88])[OH:89])=[O:90].[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([NH:76][C:75]([O:74][C:70]([CH3:71])([CH3:72])[CH3:73])=[O:77])[cH:3][c:4]([S:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1