HRID212555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

结构：CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(NS(=O)(=O)c4ccoc4)c3F)c(-c3ccnc(Cl)n3)s2)CC1

HCID57990009

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(NS(=O)(=O)c4ccoc4)c3F)c(-c3ccnc(N)n3)s2)CC1

HCID57989838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a00d818ecc524060aecc0192ff719f3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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