HRID1119013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID654980

4-(2-methyl-1,3-thiazol-4-yl)benzoic acid

C11H9NO2S

HCID59558009

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(=O)Nc3ccc4oc(N(C)C5CCN(C)CC5)nc4c3)cc2)cs1

HCID57771736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-366419bf18d84242844cb03e7c68b20d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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