HRID306174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID15797

Octabenzone

C21H26O3

HCID3826051

未命名化合物

HCID5360545

Sodium

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

HCID15219414

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1Cc1cc(C(C)(C)CC(C)(C)C)cc(-n2nc3ccccc3n2)c1O

HCID19917267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db06010af4f74113b186f4257bba8a5a
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

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