HRID185255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

3 次

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

HCID105144

Palladium(2+)

Pd+2

HCID600959

5-Bromo-3-methylisothiazole

C4H4BrNS

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

HCID86630278

6-[(6-Iodo-1,2,4-triazolo[4,3-b]pyridazin-3-yl)methyl]-3-methoxyquinoline

C16H12IN5O

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2ccc(Cc3nnc4ccc(-c5cc(C)ns5)nn34)cc2c1

HCID57691000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-644dbd1cc9fd46be83b633b251e471b3
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

[Br:1][c:2]1[cH:3][c:4]([CH3:7])[n:5][s:6]1.[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH:9]([Mg+:10])([CH3:11])[CH3:12].[Cl-:83].[Cl-:84].[Cl-:8].[I:13][c:14]1[cH:15][cH:16][c:17]2[n:18]([n:19]1)[c:20]([CH2:23][c:24]1[cH:25][c:26]3[cH:27][c:28]([O:34][CH3:35])[cH:29][n:30][c:31]3[cH:32][cH:33]1)[n:21][n:22]2.[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[Pd+2:86].[Zn+2:85].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[c:45]3[c:69]([cH:70][cH:71][cH:72]2)[C:66]([CH3:67])([CH3:68])[c:48]2[c:47]([c:52]([P:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[cH:51][cH:50][cH:49]2)[O:46]3)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[c:2]1(-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([CH2:23][c:24]2[cH:25][c:26]4[cH:27][c:28]([O:34][CH3:35])[cH:29][n:30][c:31]4[cH:32][cH:33]2)[n:21][n:22]3)[cH:3][c:4]([CH3:7])[n:5][s:6]1