HRID179999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(Br)nc1)C(=O)O

HCID23438962

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(Br)nc1)C(N)=O

HCID76700716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e2676b95c1c4cd1a8a7c6ba898ead36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:29]([F:30])([F:31])([F:32])[F:33].[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10](=[O:11])[OH:12])[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:6][n:7]1.[CH2:21]([N:23]1[CH2:22][CH2:24][O:25][CH2:26][CH2:27]1)[CH3:28].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[NH3:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10](=[O:11])[NH2:23])[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:6][n:7]1