HRID200998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(Br)cc1OCC2

HCID58204313

未命名化合物

结构：CCN(CC)CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204670

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

C15H28BN3O2

PRODUCTS

生成物

结构：CCN(CC)CCn1cc(-c2ccc3c(c2)OCCn2cc(-c4ncnn4C(C)C)nc2-3)cn1

HCID58204719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-550cc08e23b94f7daa1e8f55da152d9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2.[C:45](=[O:46])([O-:47])[O-:48].[CH2:24]([CH3:25])[N:26]([CH2:27][CH2:28][n:29]1[n:30][cH:31][c:32]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:33]1)[CH2:43][CH3:44].[CH3:51][C:52]#[N:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[K+:49].[K+:50].[OH2:60]>>[c:2]1(-[c:32]2[cH:31][n:30][n:29]([CH2:28][CH2:27][N:26]([CH2:24][CH3:25])[CH2:43][CH3:44])[cH:33]2)[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2