HRID805323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID36704

(Diethoxyphosphoryl)acetic acid

C6H13O5P

结构：Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2COCCO)cc1Cl

HCID10227340

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CC(=O)OCCOCc1cc(Br)ccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1)OCC

HCID86588591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06fede68dccb485399eceafba093a60a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:17][c:18]1[cH:19][c:20]([CH2:41][O:42][CH2:43][CH2:44][OH:45])[c:21]([NH:24][c:25]2[cH:26][c:27]([Cl:40])[c:28]([C:31](=[O:32])[c:33]3[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]3)[cH:29][cH:30]2)[cH:22][cH:23]1.[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH2:9][C:10](=[O:11])[OH:12].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[Cl-:46].[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[S:13]([Cl:14])([Cl:15])=[O:16]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH2:9][C:10](=[O:11])[O:12][CH2:44][CH2:43][O:42][CH2:41][c:20]1[cH:19][c:18]([Br:17])[cH:23][cH:22][c:21]1[NH:24][c:25]1[cH:26][c:27]([Cl:40])[c:28]([C:31](=[O:32])[c:33]2[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30]1