HRID803014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8008

Butanenitrile

C4H7N

HCID24813

Phosphoric trichloride

Cl3OP

HCID81531

Diisopropylethylamine

C8H19N

HCID11367253

5-Chloro-2H-1,3-benzodioxol-4-amine

C7H6ClNO2

结构：CN1CCN(CCOc2cc(OC3CCOCC3)c3c(=O)[nH]cnc3c2)CC1

HCID135525557

7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxy-3,4-dihydroquinazolin-4-one

C20H28N4O4

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-ac60f8ea40b84b96ae83e7efd4a41616
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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