HRID693465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID420771

4-Piperidinemethanol

C6H13NO

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1

HCID10174168

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(CO)CC1

HCID69273741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e381d14f714b4a4bb48855e81927798e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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