HRID2131920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID4519056

4-(Bromomethyl)phenylacetic acid

C9H9BrO2

HCID11065484

5-{[(5-tert-Butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine

C11H15N3OS2

PRODUCTS

生成物

结构：CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CBr)cc3)s2)o1

HCID11113601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08d885bd569e4b27937fca8227189121
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

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