HRID288181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID58310202

未命名化合物

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C(=O)O)c1ccccc1

HCID67240130

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C(=O)Nc1cn2cc(Br)sc2n1)c1ccccc1

HCID68378966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91ab35fcafaa45eebc087ac83bf9bbe5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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