HRID2310796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID210824

N-Benzyl-2-imino-4-methyl-2,3-dihydro-1,3-thiazole-5-carboximidic acid

C12H13N3OS

HCID819942

2-methoxyisonicotinic acid

C7H7NO3

PRODUCTS

生成物

结构：COc1cc(C(=O)Nc2nc(C)c(C(=O)NCc3ccccc3)s2)ccn1

HCID59369644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8400529504c49878aa8fdfa8af838c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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