HRID104254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID90549

4-Bromo-2,6-xylidine

C8H10BrN

HCID3280088

未命名化合物

HCID18452798

未命名化合物

PRODUCTS

生成物

结构：CCC(COC)n1cc(Cl)nc(Nc2c(C)cc(Br)cc2C)c1=O

HCID15485773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f95eb118b6574e24b16a4c1ea1aa5db8
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

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