HRID85798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID700

Ethanolamine

C2H7NO

HCID31374

Dimethylacetamide

C4H9NO

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(S(C)(=O)=O)nc1OCCOc1ncc(Br)cn1

HCID10963585

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(NCCO)nc1OCCOc1ncc(Br)cn1

HCID18931063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c6c1a3f48ff4578a04d8fd4fa2b654e
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

[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13]([O:36][c:37]3[c:38]([O:43][CH3:44])[cH:39][cH:40][cH:41][cH:42]3)[c:14]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]3)[n:15][c:16]([S:18]([CH3:19])(=[O:20])=[O:21])[n:17]2)[n:6][cH:7]1.[CH3:51][C:52]([N:53]([CH3:54])[CH3:55])=[O:56].[Cl-:49].[NH2:45][CH2:46][CH2:47][OH:48].[NH4+:50]>>[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13]([O:36][c:37]3[c:38]([O:43][CH3:44])[cH:39][cH:40][cH:41][cH:42]3)[c:14]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]3)[n:15][c:16]([NH:45][CH2:46][CH2:47][OH:48])[n:17]2)[n:6][cH:7]1