HRID1536182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7237

o-Xylene

C8H10

HCID688251

Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-

C14H13N3O2

结构：CCN(CC)Cc1cc(CCO)cc(-n2nc3ccccc3n2)c1O

HCID54381608

未命名化合物

PRODUCTS

生成物

结构：OCCc1cc(Cc2cc(CCO)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

HCID10885852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bd8fc7f3077416895884029ecf76824
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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