HRID200714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID10017

Carbonochloridic acid, 2-fluoroethyl ester (9CI)

C3H4ClFO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(OC2CCNCC2)ncn1

HCID66709668

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(OC2CCN(C(=O)OCCF)CC2)ncn1

HCID25261144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe0283bf71374c04a80d80bdeca95988
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

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