HRID2311783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(OC)ccn1

HCID57516635

未命名化合物

结构：NC1=NC(c2cncnc2)(c2ccc(F)c(Br)c2)c2cccc(F)c21

HCID58579533

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：COc1ccnc(-c2cc(C3(c4cncnc4)N=C(N)c4c(F)cccc43)ccc2F)c1

HCID58579516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22034dd9178f44dca7652fbbe4f83efe
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:22][c:23]1[cH:24][c:25]([C:30]2([c:41]3[cH:42][n:43][cH:44][n:45][cH:46]3)[N:31]=[C:32]([NH2:40])[c:33]3[c:34]([F:39])[cH:35][cH:36][cH:37][c:38]32)[cH:26][cH:27][c:28]1[F:29].[CH3:1][O:2][c:3]1[cH:4][c:5]([Sn:9]([CH2:10][CH2:11][CH2:12][CH3:13])([CH2:14][CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH2:20][CH3:21])[n:6][cH:7][cH:8]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:23]2[cH:24][c:25]([C:30]3([c:41]4[cH:42][n:43][cH:44][n:45][cH:46]4)[N:31]=[C:32]([NH2:40])[c:33]4[c:34]([F:39])[cH:35][cH:36][cH:37][c:38]43)[cH:26][cH:27][c:28]2[F:29])[n:6][cH:7][cH:8]1