HRID135143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID259922

2,7-Dibromo-9-fluorenone

C13H6Br2O

HCID4142526

tert-Butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

C11H20N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3ccc4c(c3)C(=O)c3cc(Br)ccc3-4)CC2C1

HCID67164077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9ca978e014840a3aaeedb3da30ce8d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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