HRID1149457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(B4OC(C)(C)C(C)(C)O4)c3)cn2)CC1

HCID53487960

tert-Butyl 4-{4-[6-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

C24H36BN5O4

HCID86633138

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4ncc5ccccc5c4F)c3)cn2)CC1

HCID67520374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bbe9bfa93c046818f48b236927483b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1.[C:60](=[O:61])([O-:62])[O-:63].[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[Cs+:64].[Cs+:65].[F:35][c:36]1[c:37]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[n:38][cH:39][c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]12.[OH2:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23](-[c:37]4[c:36]([F:35])[c:45]5[c:40]([cH:39][n:38]4)[cH:41][cH:42][cH:43][cH:44]5)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1