HRID146081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID28486

Lithium ion

Li+

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

HCID4071895

Butanoic acid, 2-hydroxy-, ion(1-)

C4H7O3-

PRODUCTS

生成物

HCID66589261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3fb5093e4544e4f88ad9c2a9667231c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][C:28]([CH2:29][NH2:30])=[O:31].[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:55][C:56]#[N:57].[ClH:43].[Li+:8].[OH2:32].[OH:1][CH:2]([C:3](=[O:4])[O-:5])[CH2:6][CH3:7].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[c:9]1([CH3:10])[cH:11][cH:12][c:13]([S:14]([OH:15])(=[O:16])=[O:17])[cH:18][cH:19]1>>[OH:1][CH:2]([C:3](=[O:4])[NH:30][CH2:29][C:28]([O:27][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)=[O:31])[CH2:6][CH3:7]