HRID1148199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

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：COc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1

HCID24822753

7-(2-Chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine

C15H13ClN4O

HCID52982866

1-[3-(4-Bromobenzene-1-sulfonyl)propyl]pyrrolidine

C13H18BrNO2S

PRODUCTS

生成物

结构：COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)CCCN5CCCC5)cc4)nnc3c2)c1

HCID59837755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-345ab8d7da8147699d9731ae418efd8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH2:32][CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:27][cH:28]1.[C:40](=[O:41])([O-:42])[O-:43].[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH2:18])[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Cl:88][CH2:89][Cl:90].[Cs+:44].[Cs+:45].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[O:129]=[C:130]([CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1)[CH:139]=[CH:140][c:141]1[cH:142][cH:143][cH:144][cH:145][cH:146]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:91].[Pd:92].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[c:55]3[c:79]([cH:80][cH:81][cH:82]2)[C:76]([CH3:77])([CH3:78])[c:58]2[c:57]([c:62]([P:63]([c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[cH:61][cH:60][cH:59]2)[O:56]3)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH:18][c:23]4[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH2:32][CH2:33][CH2:34][N:35]5[CH2:36][CH2:37][CH2:38][CH2:39]5)[cH:27][cH:28]4)[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1