HRID2134920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7037

Benzhydrol

C13H12O

HCID76616

Octane, 1-isocyanato-

C9H17NO

HCID15291669

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCNC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccccc1C(=O)O

HCID15291674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-972a0ac6847d4f96982910899b8ead83
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

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