HRID1120408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：C#CCN(Cc1cc2c(=O)n(C)c(COC(C)=O)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID11124056

未命名化合物

PRODUCTS

生成物

结构：C#CCN(Cc1cc2c(=O)n(C)c(CO)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID10950743

1,1-Dimethylethyl 4-[[[7-chloro-3,4-dihydro-2-(hydroxymethyl)-3-methyl-4-oxo-6-quinazolinyl]methyl]-2-propyn-1-ylamino]benzoate

C25H26ClN3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-022ae58b33f748509a0d05c7b70fc695
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](=[O:2])([CH3:3])[O:4][CH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:36])[c:11]([CH2:18][N:19]([CH2:20][C:21]#[CH:22])[c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:34][cH:35]3)[cH:12][c:13]2[c:14](=[O:17])[n:15]1[CH3:16].[Na+:38].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:37].[OH2:39]>>[OH:4][CH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:36])[c:11]([CH2:18][N:19]([CH2:20][C:21]#[CH:22])[c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:34][cH:35]3)[cH:12][c:13]2[c:14](=[O:17])[n:15]1[CH3:16]