HRID122290

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：CSc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)N)cc1

HCID66687502

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NC(=O)C(F)(F)F)cc1

HCID90700639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-129a92c2baf741b69cc169e2b81b0dc9
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

[CH3:31][N:32]([CH3:33])[C:34]([N:35]([CH3:36])[CH3:37])=[NH:38].[CH3:48][OH:49].[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][cH:25][c:26]([S:29][CH3:30])[cH:27][cH:28]4)[cH:15][cH:16][c:17]23)[cH:7][cH:8]1.[F:39][C:40]([C:41](=[O:42])[O:43][CH2:44][CH3:45])([F:46])[F:47]>>[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:41]([C:40]([F:39])([F:46])[F:47])=[O:42])[c:23]4[cH:24][cH:25][c:26]([S:29][CH3:30])[cH:27][cH:28]4)[cH:15][cH:16][c:17]23)[cH:7][cH:8]1