HRID671471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID6395

Methanesulfonic acid

CH4O3S

2 次

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID9855789

未命名化合物

HCID12148919

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

结构：CCc1cc(F)cc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12

HCID9903243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68269bc789d543bd86e301ea52f97fba
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:42](=[O:43])([O-:44])[O-:45].[CH2:21]([CH3:22])[c:23]1[c:24]([CH2:25][Cl:26])[c:27]([CH3:32])[cH:28][c:29]([F:31])[cH:30]1.[CH2:55]([Cl:56])[Cl:57].[CH2:62]([Cl:63])[Cl:64].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:48][S:49]([OH:50])(=[O:51])=[O:52].[CH3:53][OH:54].[CH3:58][CH2:59][OH:60].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[K+:46].[K+:47].[NH2:6][c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2.[OH2:61]>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[NH:6]([c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2)[CH2:25][c:24]1[c:23]([CH2:21][CH3:22])[cH:30][c:29]([F:31])[cH:28][c:27]1[CH3:32]