HRID180915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1117

Sulfate

O4S-2

结构：N=c1sc2cc(OC(F)(F)F)ccc2n1CCSC1CCN(Cc2ccccc2)CC1

HCID15166420

未命名化合物

HCID15166421

未命名化合物

PRODUCTS

生成物

HCID11275783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ddbc3e9222649c2ac703b464ba6f64f
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

[CH2:32]([N:33]1[CH2:34][CH2:35][CH:36]([S:37][C:38](=[O:39])[CH3:40])[CH2:41][CH2:42]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][C:50](=[O:51])[OH:52].[NH4+:53].[NH4+:54].[NH:1]=[c:2]1[n:3]([CH2:4][CH2:5][S:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:14][CH2:15]2)[c:6]2[cH:7][cH:8][c:23]([O:24][C:25]([F:26])([F:27])[F:28])[cH:29][c:30]2[s:31]1.[Na+:61].[O-:55][S:56](=[O:57])(=[O:58])[O-:59].[OH-:60]>>[SH:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:14][CH2:15]1