HRID701106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2764182

7-Amino-2H-1,4-benzoxazin-3-ol

C8H8N2O2

HCID11412697

未命名化合物

结构：CC(=NN)c1nn(C)c(-c2ccc(C(F)(F)F)cc2)c1O

HCID72360113

未命名化合物

PRODUCTS

生成物

结构：CC(=NNC(=S)Nc1ccc2c(c1)OCC(=O)N2)c1nn(C)c(-c2ccc(C(F)(F)F)cc2)c1O

HCID76597763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8c3da98b05f47ffa104c4314e762f20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:18](=[S:19])([c:20]1[nH:21][cH:22][cH:23][n:24]1)[c:25]1[nH:26][cH:27][cH:28][n:29]1.[CH3:13][N:14]([CH3:15])[CH:16]=[O:17].[N:30]([NH2:31])=[C:32]([CH3:33])[c:34]1[n:35][n:36]([CH3:50])[c:37](-[c:40]2[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]2)[c:38]1[OH:39].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:11][cH:12]1)[NH:6][C:7](=[O:10])[CH2:8][O:9]2.[OH2:51]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:11][cH:12]1)[NH:6][C:7](=[O:10])[CH2:8][O:9]2)[C:18](=[S:19])[NH:31][N:30]=[C:32]([CH3:33])[c:34]1[n:35][n:36]([CH3:50])[c:37](-[c:40]2[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]2)[c:38]1[OH:39]