HRID2320323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：CC(C)(C)OC(=O)NC1(c2ccc(Nc3nc(Cl)ccc3[N+](=O)[O-])cc2)CCC1

HCID58345132

未命名化合物

结构：CN(C)C(=O)C1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1

HCID71138803

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)C1CCN(c2cccc(-c3ccc([N+](=O)[O-])c(Nc4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)n3)c2)CC1

HCID71142508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0af2909df11e4396922f2580264ded0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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