HRID2343666

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

结构：CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID45480279

tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate

C19H32BN3O4

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

HCID67364376

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1

HCID67363289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08f5deee5c2d4662b7e8515e0c1475b5
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: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.[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][CH:36]([n:39]2[n:40][cH:41][c:42]([B:44]3[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]3)[cH:43]2)[CH2:37][CH2:38]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:71][O:72][CH2:73][CH2:74][O:75][CH3:76].[K+:61].[K+:62].[K+:63].[OH2:53].[OH2:54].[OH2:55].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd:77]([Cl:78])[Cl:79].[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[c:2]1(-[c:42]2[cH:41][n:40][n:39]([CH:36]3[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH2:37]3)[cH:43]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