HRID116070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

3 次

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID6420914

N,N-Dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-1-amine

C14H26BN3O2

结构：Fc1ccc(Cl)cc1-c1cc(-c2cncc(Br)c2)c2cccnc2n1

HCID67364376

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1

HCID53345070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b118baccebe474fb5588f7ec9dcdd5e
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

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10](-[c:18]3[c:19]([F:25])[cH:20][cH:21][c:22]([Cl:24])[cH:23]3)[n:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]23)[cH:5][n:6][cH:7]1.[CH3:26][N:27]([CH2:28][CH2:29][CH2:30][n:31]1[n:32][cH:33][c:34]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:35]1)[CH3:45].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][O:65][CH2:66][CH2:67][O:68][CH3:69].[K+:54].[K+:55].[K+:56].[OH2:46].[OH2:47].[OH2:48].[P:49]([O-:50])([O-:51])([O-:52])=[O:53].[Pd:70]([Cl:71])[Cl:72].[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1(-[c:34]2[cH:33][n:32][n:31]([CH2:30][CH2:29][CH2:28][N:27]([CH3:26])[CH3:45])[cH:35]2)[cH:3][c:4](-[c:8]2[cH:9][c:10](-[c:18]3[c:19]([F:25])[cH:20][cH:21][c:22]([Cl:24])[cH:23]3)[n:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]23)[cH:5][n:6][cH:7]1