HRID2346065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID28557

18-Crown-6

C12H24O6

HCID239498

4-Chloro-1-(oxan-2-yl)-1H-pyrazolo[3,4-d]pyrimidine

C10H11ClN4O

结构：OCC(O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID10406337

未命名化合物

PRODUCTS

生成物

结构：OC(COc1ncnc2c1cnn2C1CCCCO1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID15670866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-245cf934a3db4389b5ea1b8b0293fc0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Cl:27][c:28]1[c:29]2[c:30]([n:31][cH:32][n:33]1)[n:34]([CH:37]1[O:38][CH2:39][CH2:40][CH2:41][CH2:42]1)[n:35][cH:36]2.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH:16]([CH2:17][OH:18])[OH:19])[CH2:13][CH2:14]2)[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[cH:6][cH:7]1.[K+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50][O:51][CH2:52][CH2:53][O:54][CH2:55][CH2:56][O:57][CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH-:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH:16]([CH2:17][O:18][c:28]3[c:29]4[c:30]([n:31][cH:32][n:33]3)[n:34]([CH:37]3[O:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[n:35][cH:36]4)[OH:19])[CH2:13][CH2:14]2)[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[cH:6][cH:7]1