HRID1546646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

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

HCID58748728

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(C(=O)NCCN5CCCC5)nc4)nnc3c2)c1

HCID59837786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d283f8eac094489b8b5c61f371b64577
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:143][OH:144].[CH:107](=[CH:108][C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)=[O:118])[c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[CH:125](=[CH:126][C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)=[O:136])[c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[CH:89](=[CH:90][C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)=[O:100])[c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Cl:145][CH2:146][Cl:147].[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.[Cs+:43].[Cs+:44].[N:22]1([CH2:27][CH2:28][NH:29][C:30](=[O:31])[c:32]2[n:33][cH:34][c:35]([Br:38])[cH:36][cH:37]2)[CH2:23][CH2:24][CH2:25][CH2:26]1.[Pd:87].[Pd:88].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[c:54]3[c:78]([cH:79][cH:80][cH:81]2)[C:75]([CH3:76])([CH3:77])[c:57]2[c:56]([c:61]([P:62]([c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:60][cH:59][cH:58]2)[O:55]3)[cH:82][cH:83][cH:84][cH:85][cH:86]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:35]4[cH:34][n:33][c:32]([C:30]([NH:29][CH2:28][CH2:27][N:22]5[CH2:23][CH2:24][CH2:25][CH2:26]5)=[O:31])[cH:37][cH:36]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