HRID2153595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6329

Methylamine

CH5N

结构：CC(Oc1cc(-n2cnc3cc(COS(C)(=O)=O)ncc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID86647117

未命名化合物

PRODUCTS

生成物

结构：CNCc1cc2ncn(-c3cc(OC(C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cn1

HCID178482581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1cccf4aca9d4abaa55a9762e1bfeede
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

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