HRID212549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID136809

Benzophenone imine

C13H11N

HCID4574913

未命名化合物

结构：c1ccc(P(c2ccccc2)c2cc3ccccc3c(-c3cccc4ccccc34)c2P(c2ccccc2)c2ccccc2)cc1

HCID18630801

未命名化合物

HCID69066642

未命名化合物

PRODUCTS

生成物

结构：CC(Cc1cccc(N=C(c2ccccc2)c2ccccc2)c1)NC(=O)OC(C)(C)C

HCID86600374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72512344c4cb47868ddc68edd20470e8
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

[C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[NH:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][c:12]([Br:16])[cH:13][cH:14][cH:15]1)[CH3:17])=[O:18].[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Na+:38].[Pd+2:89].[c:39]1([P:40]([c:41]2[c:42]([P:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:56](-[c:57]3[c:58]4[c:59]([cH:60][cH:61][cH:62][cH:63]4)[cH:64][cH:65][cH:66]3)[c:67]3[c:68]([cH:69]2)[cH:70][cH:71][cH:72][cH:73]3)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][c:12]([N:32]=[C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:13][cH:14][cH:15]1)[CH3:17])=[O:18]