HRID686641

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

HCID19660

Carbonate

CO3-2

HCID28659

Propanoic acid, 2-chloro-, methyl ester

C4H7ClO2

结构：Cc1c(Cc2ccc(-n3cccn3)cc2)c(C2CC2)nc2c(F)ccc(O)c12

HCID136348363

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)Oc1ccc(F)c2nc(C3CC3)c(Cc3ccc(-n4cccn4)cc3)c(C)c12

HCID67457323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9edf4a4047fb446ba431d0f247a31675
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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