HRID283125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

结构：CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

HCID3240

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID1385867

N,N-Diethylethanaminium

C6H16N+

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)Oc5ccc([N+](=O)[O-])cc5)CCC4(C)C3CCC12C

HCID178442610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b34b3c9b85ce4cc88cd235c2f1f18727
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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