HRID2345066

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

HCID4142526

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

C11H20N2O2

HCID4574913

未命名化合物

HCID9104610

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccccc1CNC(=O)c1cncc(N2CC3CN(C(=O)OC(C)(C)C)CC3C2)c1

HCID67265571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d6a84500791a4e40931ffc3027528d65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:16][c:17]1[cH:18][n:19][cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][c:26]2[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]2)[cH:33]1.[CH2:1]1[N:2]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:3][CH:4]2[CH:5]1[CH2:6][NH:7][CH2:8]2.[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Na+:39].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[CH2:1]1[N:2]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:3][CH:4]2[CH:5]1[CH2:6][N:7]([c:17]1[cH:18][n:19][cH:20][c:21]([C:22](=[O:23])[NH:24][CH2:25][c:26]3[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]3)[cH:33]1)[CH2:8]2