HRID292551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID887

Methanol

CH4O

HCID947

Nitrogen

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID2769618

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

C16H26BN3O2

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)cc3c2ccn3C(C)C)c(=O)[nH]1

HCID54670164

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2ccn3C(C)C)c(=O)[nH]1

HCID54670165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcd03183fb4147cf920e7a8d7a2f327b
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:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[cH:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1.[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([c:34]2[n:35][cH:36][c:37]([B:40]3[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]3)[cH:38][cH:39]2)[CH2:32][CH2:33]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH3:72][OH:73].[CH:74]([Cl:75])([Cl:76])[Cl:77].[Cl:78][CH2:79][Cl:80].[K+:54].[K+:55].[K+:56].[N:57]#[N:58].[OH2:65].[P:49]([O-:50])([O-:51])([O-:52])=[O:53]>>[c:2]1(-[c:37]2[cH:36][n:35][c:34]([N:31]3[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]3)[cH:39][cH:38]2)[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[cH:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[cH:10]1