HRID184506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID231184

1-(2-Hydroxyethyl)-4-methylpiperazine

C7H16N2O

结构：Fc1cc(OC2CCOCC2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1

HCID11654626

N-(5-Chloro-2H-1,3-benzodioxol-4-yl)-7-fluoro-5-[(oxan-4-yl)oxy]quinazolin-4-amine

C20H17ClFN3O4

PRODUCTS

生成物

结构：CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1

HCID10302451

Saracatinib

C27H32ClN5O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26eba0892bf846098b8c633ee962551e
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

[CH3:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]1[NH:8][c:9]1[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([F:26])[cH:16][c:17]([O:19][CH:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:18]13)[O:27][CH2:28][O:29]2.[ClH:42].[K+:31].[OH-:30].[OH:32][CH2:33][CH2:34][N:35]1[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]1[NH:8][c:9]1[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:32][CH2:33][CH2:34][N:35]4[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]4)[cH:16][c:17]([O:19][CH:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:18]13)[O:27][CH2:28][O:29]2