HRID151067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID84189

Ethoxyacetyl chloride

C4H7ClO2

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

HCID58970681

未命名化合物

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

HCID67052529

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOCC(=O)Nc1cnc2cc(Br)cnc2c1NCC(C)(C)NC(=O)OC(C)(C)C

HCID67052411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a309e889a1644574b58a8ffd2e462526
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

[CH2:50]([CH3:51])[O:52][CH2:53][C:54](=[O:55])[Cl:56].[CH3:57][C:58]#[N:59].[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.[NH2:25][c:26]1[cH:27][n:28][c:29]2[cH:30][c:31]([Br:49])[cH:32][n:33][c:34]2[c:35]1[NH:36][CH2:37][C:38]([CH3:39])([CH3:40])[NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48]>>[ClH:56].[NH:25]([c:26]1[cH:27][n:28][c:29]2[cH:30][c:31]([Br:49])[cH:32][n:33][c:34]2[c:35]1[NH:36][CH2:37][C:38]([CH3:39])([CH3:40])[NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[C:54]([CH2:53][O:52][CH2:50][CH3:51])=[O:55]