HRID296677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID2756808

tert-Butyl 4-methylidenepiperidine-1-carboxylate

C11H19NO2

结构：COc1ccc(Cn2nc(I)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID67221003

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(CC3CCN(C(=O)OC(C)(C)C)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68517133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b38566c064d34b128a585e169cbb114c
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

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