HRID172419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID77569

alpha-Bromo-2-nitrotoluene

C7H6BrNO2

结构：O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1

HCID11773771

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2ccccc2[N+](=O)[O-])c1

HCID66913573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bbe49423f2d4c66ae7c042fa357e050
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

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