HRID1231934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID69221

Glycine methyl ester

C3H7NO2

HCID114942

Titanium(4+)

Ti+4

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

HCID440699

未命名化合物

HCID3260420

未命名化合物

4 次

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)CNC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32)C1

HCID178501556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9019073379314d7cb1ce3d754c86159a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH4-:31].[CH3:2][O:3][C:4]([CH2:5][NH2:6])=[O:7].[CH3:36][CH:37]([CH3:38])[O-:39].[CH3:41][CH:42]([CH3:43])[O-:44].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][OH:54].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH3:8][C:9]([CH:10]1[CH2:11][CH2:12][CH:13]2[CH:14]3[CH2:15][CH2:16][CH:17]4[CH2:18][C:19](=[O:29])[CH2:20][CH2:21][C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28])=[O:30].[ClH:1].[ClH:35].[Na+:32].[Na+:34].[OH-:33].[Ti+4:40]>>[CH3:2][O:3][C:4]([CH2:5][NH:6][CH:19]1[CH2:18][CH:17]2[CH2:16][CH2:15][CH:14]3[CH:13]4[CH2:12][CH2:11][CH:10]([C:9]([CH3:8])=[O:30])[C:27]4([CH3:28])[CH2:26][CH2:25][CH:24]3[C:22]2([CH3:23])[CH2:21][CH2:20]1)=[O:7].[ClH:1]