HRID192365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID766382

2-Chloro-4-methyl-quinolin-6-ol

C10H8ClNO

HCID4574913

未命名化合物

结构：COC1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1N

HCID76677485

未命名化合物

PRODUCTS

生成物

结构：COC1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1Nc1cc(C)c2cc(O)ccc2n1

HCID76677500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ff76f6ae76e49129c28deba31e64718
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([OH:13])[cH:8][c:9]2[c:10]([CH3:12])[cH:11]1.[NH2:14][CH:15]1[CH2:16][N:17]([C:22]([CH2:23][c:24]2[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]2)=[O:35])[CH2:18][CH:19]1[O:20][CH3:21].[Na+:47].[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]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.[OH2:54].[Pd:55].[Pd:56]>>[c:2]1([NH:14][CH:15]2[CH2:16][N:17]([C:22]([CH2:23][c:24]3[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]3)=[O:35])[CH2:18][CH:19]2[O:20][CH3:21])[n:3][c:4]2[cH:5][cH:6][c:7]([OH:13])[cH:8][c:9]2[c:10]([CH3:12])[cH:11]1