HRID2326742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID81531

Diisopropylethylamine

C8H19N

HCID114942

Titanium(4+)

Ti+4

HCID54299041

未命名化合物

HCID59564912

未命名化合物

结构：O=C(Cc1ccc(Cl)cc1)N1C(=O)OCC1Cc1ccccc1

HCID66618100

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(C(C(=O)N2C(=O)OCC2Cc2ccccc2)c2ccc(Cl)cc2)CCC1(C)C

HCID77195844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-402464a178904494955c2c157ad210ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH:32]1[N:33]([C:38]([CH2:39][c:40]2[cH:41][cH:42][c:43]([Cl:46])[cH:44][cH:45]2)=[O:47])[C:34](=[O:37])[O:35][CH2:36]1.[CH3:16][CH:17]([CH2:18][AlH:19][CH2:20][CH:21]([CH3:22])[CH3:23])[CH3:24].[CH3:1][C:2]1([CH3:15])[N:3]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[C:4](=[O:7])[CH2:5][CH2:6]1.[CH3:57][O:58][CH:59]1[N:60]([C:61]([O:62][C:63]([CH3:64])([CH3:65])[CH3:66])=[O:67])[C:68]([CH3:69])([CH3:70])[CH2:71][CH2:72]1.[CH3:73][CH2:74][O:75][CH2:76][CH3:77].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[Cl-:88].[Cl-:90].[Cl-:91].[Cl-:92].[Cl:85][CH2:86][Cl:87].[Ti+4:89]>>[CH3:1][C:2]1([CH3:15])[N:3]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH:4]([CH:39]([C:38]([N:33]2[CH:32]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:36][O:35][C:34]2=[O:37])=[O:47])[c:40]2[cH:41][cH:42][c:43]([Cl:46])[cH:44][cH:45]2)[CH2:5][CH2:6]1