HRID301879

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)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID16217947

tert-Butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate

C20H32BN3O4

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)N1CCN(c2ccc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1

HCID67364840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22c51c5abbf74e01bd0c25efad385651
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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][N:36]([c:39]2[n:40][cH:41][c:42]([B:45]3[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]3)[cH:43][cH:44]2)[CH2:37][CH2:38]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:72][O:73][CH2:74][CH2:75][O:76][CH3:77].[K+:62].[K+:63].[K+:64].[OH2:54].[OH2:55].[OH2:56].[P:57]([O-:58])([O-:59])([O-:60])=[O:61].[Pd:78]([Cl:79])[Cl:80].[c:100]1([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:42]2[cH:41][n:40][c:39]([N: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:44][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