HRID2141337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID223

Ammonia ion (NH4+)

H4N+

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

HCID251172

2-benzyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C17H24O

HCID2826723

azanide

H2N-

HCID5360545

Sodium

PRODUCTS

生成物

结构：CN(C)CCCOC1(Cc2ccccc2)CC2CCC1(C)C2(C)C

HCID13749826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d96c1e719f34301af5b8e3d64b4d4c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:29]([OH:30])(=[O:31])[CH:32]([CH:33]([C:34]([OH:35])=[O:36])[OH:37])[OH:38].[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]1([OH:20])[C:11]2([CH3:19])[CH2:12][CH2:13][CH:14]([CH2:15]1)[C:16]2([CH3:17])[CH3:18].[CH3:22][N:23]([CH2:24][CH2:25][CH2:26][Cl:27])[CH3:28].[ClH:39].[NH2-:2].[NH3:21].[NH4+:40].[Na:1].[OH-:41].[OH2:48].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]1([O:20][CH2:26][CH2:25][CH2:24][N:23]([CH3:22])[CH3:28])[C:11]2([CH3:19])[CH2:12][CH2:13][CH:14]([CH2:15]1)[C:16]2([CH3:17])[CH3:18]