HRID2342820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID68288

6-Aminobenzothiazole

C7H6N2S

HCID130500

未命名化合物

结构：O=C(O)c1ccc2[nH]c(Nc3ccccc3C(F)(F)F)nc2c1

HCID178524173

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2ncsc2c1)c1ccc2[nH]c(Nc3ccccc3C(F)(F)F)nc2c1

HCID178521789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a88902bd779a40fdaac5104bda3063e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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