HRID186154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID15251776

未命名化合物

结构：OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1

HCID19363748

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)c1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1

HCID19040912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28b2879983a141bc8f7c9278b47e0d59
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

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