HRID136868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID153404

1,2-Benzenediamine, 4-methoxy- (9CI)

C7H10N2O

HCID4641409

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

C10H15N6O+

HCID178524942

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N)c(NC(=O)c2n[nH]c3ncc(Br)cc23)c1

HCID178492301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da14e9c85d1d45cab3b16b2112cba3a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][n:9][c:10]2[C:11](=[O:12])[OH:13].[CH3:14][O:15][c:16]1[cH:17][c:18]([NH2:23])[c:19]([NH2:22])[cH:20][cH:21]1.[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][n:9][c:10]2[C:11](=[O:13])[NH:23][c:18]1[cH:17][c:16]([O:15][CH3:14])[cH:21][cH:20][c:19]1[NH2:22]