HRID90684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID7283

2-Methylbutylamine

C5H13N

HCID8857

Ethyl acetate

C4H8O2

结构：CCN(CC)CC(C)N1c2ccccc2Sc2ccc(C(=N)OC)cc21

HCID15925385

未命名化合物

PRODUCTS

生成物

结构：CCC(C)CNC(=N)c1ccc2c(c1)N(C(C)CN(CC)CC)c1ccccc1S2

HCID178446429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-573e902c4ab948ea8e251b2e50c732a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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