HRID106153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11984

1H-Benzimidazole, 2-methyl-

C8H8N2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cn1c(CN2CCC(C3COC3)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

HCID59605406

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C4COC4)CC3)n(C)c2n1

HCID59605303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33347df431a24bcfa00176ebefcd52a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:29][c:30]1[n:31][c:32]2[c:33]([nH:34]1)[cH:35][cH:36][cH:37][cH:38]2.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][CH:16]([CH:19]4[CH2:20][O:21][CH2:22]4)[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1.[Cs+:43].[Cs+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:50].[Pd:51]>>[c:2]1(-[n:31]2[c:30]([CH3:29])[n:34][c:33]3[c:32]2[cH:38][cH:37][cH:36][cH:35]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][CH:16]([CH:19]4[CH2:20][O:21][CH2:22]4)[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1