HRID177267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8048

Ethyl decanoate

C12H24O2

HCID8058

n-Hexane

C6H14

HCID26255

Tetrafluoroborate

BF4-

HCID86743576

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC(=CC=C(C(=O)OCC)N(C)C)C(=O)OCC

HCID54180968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-048a389c617740d18b6e755d8d4d52f4
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

[B-:27]([F:28])([F:29])([F:30])[F:31].[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])(=[O:11])[O:12][CH2:13][CH3:14].[CH2:22]([Li:23])[CH2:24][CH2:25][CH3:26].[CH3:32][N:33]([C:34](=[CH:35][CH:36]=[N+:37]([CH3:38])[CH3:39])[C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[CH:15]([NH:16][CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[Cl-:46].[Cl:60][CH2:61][Cl:62].[NH4+:47].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59]>>[C:1]([C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])=[CH:36][CH:35]=[C:34]([N:33]([CH3:32])[CH3:45])[C:40](=[O:41])[O:42][CH2:43][CH3:44])(=[O:11])[O:12][CH2:13][CH3:14]