HRID2124392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7672

Phenyl isocyanate

C7H5NO

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(N)cs2)CC1

HCID66956401

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NC(=O)Nc3ccccc3)cs2)CC1

HCID66955522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e4c3b0113b1453492a506d935243bc2
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

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