HRID2161253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID61033

Propyl isocyanate

C4H7NO

结构：Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N)c2)c1

HCID11164406

2-[[(2-Amino-4-pyridinyl)methyl]thio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide

C20H20N4OS

PRODUCTS

生成物

结构：CCCNC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1

HCID11305473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c72d2cf917cd4b19a54ac46ef433d8fb
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

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