HRID86331

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

HCID22030722

1H-Pyrrolo[2,3-b]pyridin-5-ol

C7H6N2O

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4cnc5[nH]ccc5c4)ncnc32)CC1

HCID57965046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a2c3bc7d150479885ff1c1c2ab41831
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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