HRID177926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID6661

1,3-Dimethyl-2-imidazolidinone

C5H10N2O

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID45789811

5-Methoxypyrazine-2-carboxylic acid

C6H6N2O3

结构：NC1=NC2(c3cc(N)ccc3F)COC(C(F)(F)F)C2CS1

HCID72671713

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(C(=O)Nc2ccc(F)c(C34COC(C(F)(F)F)C3CSC(N)=N4)c2)cn1

HCID76555327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90c6636231ff48448ba01cdfea02a7bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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