HRID1115128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

结构：COc1cc(C2=NN(C3CCN(C(=O)c4cc(OCc5ccccc5)ccc4C)CC3)C(=O)C2(C)C)cc2c1OC(C)(C)C2

HCID46202398

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2=NN(C3CCN(C(=O)c4cc(O)ccc4C)CC3)C(=O)C2(C)C)cc2c1OC(C)(C)C2

HCID46202399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80e096b162274695bd35933df09feccb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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]([CH3:44])[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:42][CH3:43])[c:34]5[c:35]([cH:41]4)[CH2:36][C:37]([CH3:39])([CH3:40])[O:38]5)[C:26]([CH3:29])([CH3:30])[C:27]3=[O:28])[CH2:21][CH2:22]2)[cH:14]1.[CH3:46][OH:47].[NH4+:45]>>[OH:8][c:9]1[cH:10][cH:11][c:12]([CH3:44])[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:42][CH3:43])[c:34]5[c:35]([cH:41]4)[CH2:36][C:37]([CH3:39])([CH3:40])[O:38]5)[C:26]([CH3:29])([CH3:30])[C:27]3=[O:28])[CH2:21][CH2:22]2)[cH:14]1