HRID88764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C#Cc3cccc4ccccc34)cs2)CC1

HCID67156152

未命名化合物

PRODUCTS

生成物

HCID67156662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f14de89dde9647d884b5beeae8ae3876
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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