HRID88277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID80972

Ethane, 1-bromo-2-methoxy-

C3H7BrO

HCID3513851

BEMP phosphazene

C13H31N4P

结构：COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C(C)c3ccccn3)c12

HCID52934274

未命名化合物

PRODUCTS

生成物

结构：COCCn1c(=O)n(C(C)c2ccccn2)c2c3cc(OC)c(-c4c(C)noc4C)cc3ncc21

HCID76548302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c8415fe4fdc4b29a954ae5a71586be0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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