HRID183593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID80366

2,2,2-Trifluoroethyl triflate

C3H2F6O3S

结构：O=C(NC(COCC1CCNCC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1

HCID69307888

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(COCC1CCN(CC(F)(F)F)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1

HCID69309741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29954970802445e5a29789272880834f
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

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