HRID2322068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID13821101

未命名化合物

结构：COCC1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1

HCID66621134

未命名化合物

PRODUCTS

生成物

结构：COCC1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)C(NC(=O)OC)C(C)C)C1

HCID66621104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fd60bebf21e4734be794b6be6530a84
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

[C:1]([O:2][C:6](=[O:7])[N:8]1[CH:9]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:10][CH:11]([CH2:13][O:14][CH3:15])[CH2:12]1)([CH3:3])([CH3:4])[CH3:5].[CH3:29][O:30][C:31](=[O:32])[NH:33][CH:34]([C:35]([OH:36])=[O:37])[CH:38]([CH3:39])[CH3:40].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[Cl:72][CH2:73][Cl:74].[ClH:28].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[C:6](=[O:7])([N:8]1[CH:9]([c:16]2[nH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]3)[cH:19][n:20]2)[CH2:10][CH:11]([CH2:13][O:14][CH3:15])[CH2:12]1)[CH:34]([NH:33][C:31]([O:30][CH3:29])=[O:32])[CH:38]([CH3:39])[CH3:40]