HRID309009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3496445

未命名化合物

结构：CC(C)(C)OC(=O)N1CCn2c(Br)nc(C(=O)O)c2C1

HCID57635428

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(NC(=O)c1nc(Br)n2c1CN(C(=O)OC(C)(C)C)CC2)C(C)(C)C

HCID66931809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a7a262836a74d5ea935befe6b6c7860
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:1][c:2]1[n:3][c:4]([C:18](=[O:19])[OH:20])[c:5]2[n:6]1[CH2:7][CH2:8][N:9]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:10]2.[CH3:21][NH:22][C:23]([CH:24]([NH2:25])[C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[Br:1][c:2]1[n:3][c:4]([C:18](=[O:20])[NH:25][CH:24]([C:23]([NH:22][CH3:21])=[O:30])[C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]2[n:6]1[CH2:7][CH2:8][N:9]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:10]2