HRID2161580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

反应SMILES：O=[N+]([O-])c1ccc2c(c1)c(-c1ccnc(C3CC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID57686276

未命名化合物

PRODUCTS

产物

反应SMILES：Nc1ccc2c(c1)c(-c1ccnc(C3CC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID57685838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4b7733de27de4d1b9da9aff2de9fa96c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH3:48][OH:49].[CH:1]1([c:4]2[n:5][cH:6][cH:7][c:8](-[c:10]3[n:11][n:12]([C:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:13]4[cH:14][cH:15][c:16]([N+:19]([O-:20])=[O:21])[cH:17][c:18]34)[cH:9]2)[CH2:2][CH2:3]1.[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH:1]1([c:4]2[n:5][cH:6][cH:7][c:8](-[c:10]3[n:11][n:12]([C:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:13]4[cH:14][cH:15][c:16]([NH2:19])[cH:17][c:18]34)[cH:9]2)[CH2:2][CH2:3]1