HRID669450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

结构：CCOCc1nc2c(N)nc3cc(Br)cnc3c2n1CC(C)(C)O

HCID58970681

未命名化合物

结构：CC(C)(CNc1c([N+](=O)[O-])cnc2cc(Br)cnc12)NC(=O)OC(C)(C)C

HCID67052497

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CNc1c(N)cnc2cc(Br)cnc12)NC(=O)OC(C)(C)C

HCID67052529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f5364706730427ca761a7cfea86e430
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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