HRID87256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8902

Dipropylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID28486

Lithium ion

Li+

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID601880

3-(Methoxycarbonyl)benzoic acid

C9H8O4

PRODUCTS

生成物

HCID182769

Benzoic acid, 3-((dipropylamino)carbonyl)-

C14H19NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2218238b6073446d95c4f77f39aceba2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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