HRID1538234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4cc(OCc5ccccc5)ccc4C)CC3)C(=O)C2(C)C)cc1OC

HCID46202066

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4cc(O)ccc4C)CC3)C(=O)C2(C)C)cc1OC

HCID46202067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d81b09a291b4bc99352c54f04bda7c3
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH3:41])[c:13]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[N:24]=[C:25]([c:31]4[cH:32][c:33]([O:39][CH3:40])[c:34]([O:37][CH3:38])[cH:35][cH:36]4)[C:26]([CH3:29])([CH3:30])[C:27]3=[O:28])[CH2:21][CH2:22]2)[cH:14]1.[CH3:43][OH:44].[NH4+:42]>>[OH:8][c:9]1[cH:10][cH:11][c:12]([CH3:41])[c:13]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[N:24]=[C:25]([c:31]4[cH:32][c:33]([O:39][CH3:40])[c:34]([O:37][CH3:38])[cH:35][cH:36]4)[C:26]([CH3:29])([CH3:30])[C:27]3=[O:28])[CH2:21][CH2:22]2)[cH:14]1