HRID181241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(Cl)cc34)cn2)CC1

HCID66759397

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1csc2cncnc12

HCID66760647

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5csc6cncnc56)cc34)cn2)CC1

HCID66760015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6971e4e61c1549d18a26b991f5db52bb
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

[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:15])([c:6]1[cH:7][s:8][c:9]2[c:10]1[n:11][cH:12][n:13][cH:14]2)[CH2:16][CH2:17][CH2:18][CH3:19])[CH2:20][CH2:21][CH3:22].[Cs+:49].[F-:48].[NH2:23][c:24]1[n:25][cH:26][c:27](-[c:34]2[cH:35][n:36][n:37]([CH:39]3[CH2:40][CH2:41][N:42]([C:45]([CH3:46])=[O:47])[CH2:43][CH2:44]3)[cH:38]2)[c:28]2[c:29]1[o:30][c:31]([Cl:33])[cH:32]2.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:6]1(-[c:31]2[o:30][c:29]3[c:24]([NH2:23])[n:25][cH:26][c:27](-[c:34]4[cH:35][n:36][n:37]([CH:39]5[CH2:40][CH2:41][N:42]([C:45]([CH3:46])=[O:47])[CH2:43][CH2:44]5)[cH:38]4)[c:28]3[cH:32]2)[cH:7][s:8][c:9]2[c:10]1[n:11][cH:12][n:13][cH:14]2