HRID117504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

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

HCID7017747

1,5-dimethyl-1H-pyrazol-3-amine

C5H9N3

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(I)nc21

HCID58180649

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21

HCID50922691

BMS-911543

C23H28N8O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec689b3dda2d433c9e06825d0db6d4c4
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:9](=[O:10])([O-:11])[O-:12].[CH3:1][n:2]1[n:3][c:4]([NH2:8])[cH:5][c:6]1[CH3:7].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH:15]1([N:18]([C:19](=[O:20])[c:21]2[cH:22][c:23]3[c:24]([n:25][c:26]([I:33])[c:27]4[c:28]3[n:29]([CH3:32])[cH:30][n:31]4)[n:34]2[CH2:35][CH3:36])[CH:37]2[CH2:38][CH2:39]2)[CH2:16][CH2:17]1.[Cl:46][CH2:47][Cl:48].[Cs+:13].[Cs+:14].[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:49].[Pd:50]>>[CH3:1][n:2]1[n:3][c:4]([NH:8][c:26]2[n:25][c:24]3[c:23]([cH:22][c:21]([C:19]([N:18]([CH:15]4[CH2:16][CH2:17]4)[CH:37]4[CH2:38][CH2:39]4)=[O:20])[n:34]3[CH2:35][CH3:36])[c:28]3[c:27]2[n:31][cH:30][n:29]3[CH3:32])[cH:5][c:6]1[CH3:7]