HRID1134999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID4142526

tert-Butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

C11H20N2O2

HCID46180726

6-(Bromomethyl)-2-chloro-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine

C11H11BrClN3OS

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(Cc3cc4nc(Cl)nc(N5CCOCC5)c4s3)CC2C1

HCID58117071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-672c4376e64a4c99a840292e078a0f5e
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

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