HRID944184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID4460490

tert-butyl N-(3-bromopropyl)carbamate

C8H16BrNO2

结构：COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1O

HCID66623412

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1OCCCNC(=O)OC(C)(C)C

HCID66623588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91dbbd9ac53f46efb930af54dedf3ac4
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35]([NH:36][CH2:37][CH2:38][CH2:39][Br:40])=[O:41].[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:28][CH3:29])[c:24]([OH:27])[cH:25][c:26]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1.[I-:42].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:28][CH3:29])[c:24]([O:27][CH2:39][CH2:38][CH2:37][NH:36][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:41])[cH:25][c:26]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1