HRID673139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7504

Benzylamine

C7H9N

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2756770

N-Boc-amino-4-methylthiazole-5-carboxylic acid

C10H14N2O4S

PRODUCTS

生成物

结构：Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCc1ccccc1

HCID86642521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6af226b69fa47d2903646821b7a09e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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