HRID310372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：Cn1cc(-c2ccc(C(C)(O)Cc3nc(CC(C)(C)C)cn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cn1

HCID68667663

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc(C(C)(O)Cc3nc(CC(C)(C)C)c[nH]3)cc2)cn1

HCID178480059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba8d43caaff24d9eb29fab8226f6027c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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