HRID2324513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID9903704

未命名化合物

结构：O=C(c1ccccc1)N1CCOC(CCOS(=O)(=O)c2ccccc2)(c2ccc(F)c(F)c2)C1

HCID11179272

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1

HCID9916832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6fdac167a894a9a894cd55ebc19bf06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[C:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)(=[O:35])[N:36]1[CH2:37][C:38]([CH2:42][CH2:43][O:44][S:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)(=[O:52])=[O:53])([c:54]2[cH:55][c:56]([F:61])[c:57]([F:60])[cH:58][cH:59]2)[O:39][CH2:40][CH2:41]1.[CH3:63][C:64]#[N:65].[ClH:7].[K+:5].[K+:6].[OH2:62].[c:8]1([C:14]2([NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[c:8]1([C:14]2([NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:15][CH2:16][N:17]([CH2:43][CH2:42][C:38]3([c:54]4[cH:55][c:56]([F:61])[c:57]([F:60])[cH:58][cH:59]4)[CH2:37][N:36]([C:28]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)=[O:35])[CH2:41][CH2:40][O:39]3)[CH2:18][CH2:19]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1