HRID1132966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID11776

Triphenylphosphine

C18H15P

结构：Nc1nc(N)c(N=O)c(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1

HCID86615611

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(N)c(N)c(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1

HCID86615613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5762e23c9df94c6ea7511c3fa2f9aa22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:46][c:47]1[c:48]([CH3:49])[cH:50][cH:51][cH:52][cH:53]1.[NH2:1][c:2]1[n:3][c:4]([NH2:26])[c:5]([N:24]=[O:25])[c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[cH:14][cH:15]2)[n:7]1.[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[NH2:1][c:2]1[n:3][c:4]([NH2:26])[c:5]([NH2:24])[c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[cH:14][cH:15]2)[n:7]1