HRID697452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734772

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C14H18BNO2

结构：Clc1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1

HCID60167522

6-Chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1H-pyrazolo[3,4-d]pyrimidine

C19H24ClN5O3

PRODUCTS

生成物

结构：c1cc2cc(-c3nc(N4CC5CCC(C4)O5)c4cnn(C5CCC6(CC5)OCCO6)c4n3)ccc2[nH]1

HCID57424647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af13b2c82c3445e3910765086836a53a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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