HRID91828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID9794

Ethyl trifluoroacetate

C4H5F3O2

HCID66460

Guanidine, N,N,N',N'-tetramethyl-

C5H13N3

结构：CC(N)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2ccccc2c1

HCID178464714

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(F)(F)F)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2ccccc2c1

HCID91430968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6c767868e0a4e0685511bcc339c08a4
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

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