HRID318473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1318

1,10-Phenanthroline

C12H8N2

HCID7237

o-Xylene

C8H10

HCID19660

Carbonate

CO3-2

HCID67504

1H-Imidazo[4,5-b]pyridine

C6H5N3

HCID95417

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

C17H14O

HCID104815

Cuprous ion

Cu+

HCID104967

Cesium(1+)

Cs+

2 次

HCID137214

4-Iodophenylacetic acid

C8H7IO2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

PRODUCTS

生成物

HCID53213084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ec9321d20794a8cb0e5ee79c58f9d72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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