HRID2136367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)NC(=O)Nc1nc2nc(S(C)(=O)=O)ncc2cc1-c1c(Cl)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1Cl

HCID59860295

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1Cl

HCID15950890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa6af6f8d075402886c6eb0ef433bb20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([NH:7][c:8]1[c:9](-[c:22]2[c:23]([Cl:42])[c:24]([NH:29][C:30]([c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[cH:25][cH:26][c:27]2[Cl:28])[cH:10][c:11]2[c:12]([n:13][c:14]([S:17]([CH3:18])(=[O:19])=[O:20])[n:15][cH:16]2)[n:21]1)=[O:43].[CH3:54][OH:55].[CH:45]([N:48]([CH2:46][CH3:47])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[NH4+:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([NH:7][c:8]1[c:9](-[c:22]2[c:23]([Cl:42])[c:24]([NH:29][C:30]([c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[cH:25][cH:26][c:27]2[Cl:28])[cH:10][c:11]2[c:12]([n:13][c:14]([NH2:48])[n:15][cH:16]2)[n:21]1)=[O:43]