HRID1556782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

HCID2783397

2-Fluoropyridine-5-boronic acid

C5H5BFNO2

结构：CC(=O)OCC1OC(c2ccc(C)c(Cc3ccc(Cl)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID72629788

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(c2ccc(C)c(Cc3ccc(-c4ccc(F)nc4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44bcb164af404b8388e1877432975a48
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:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([c:24]2[cH:25][c:26]([CH2:31][c:32]3[s:33][c:34]([Cl:37])[cH:35][cH:36]3)[c:27]([CH3:30])[cH:28][cH:29]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH:59](=[CH:60][C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)=[O:70])[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH:77](=[CH:78][C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)=[O:88])[c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[CH:95](=[CH:96][C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)=[O:106])[c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Cl-:50].[F-:48].[F:38][c:39]1[cH:40][cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][n:44]1.[K+:49].[NH4+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[Pd:57].[Pd:58]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([c:24]2[cH:25][c:26]([CH2:31][c:32]3[s:33][c:34](-[c:42]4[cH:41][cH:40][c:39]([F:38])[n:44][cH:43]4)[cH:35][cH:36]3)[c:27]([CH3:30])[cH:28][cH:29]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]