HRID1140722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31275

1,4-Dioxane

C4H8O2

HCID12085284

4-((5-bromopyridin-2-yl)methyl)morpholine

C10H13BrN2O

结构：Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(Br)ccc23)cc1Cl

HCID23437943

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：Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCOCC5)nc4)ccc23)cc1Cl

HCID23438336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ee048bc5f714a83b8463cc5960efbae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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