HRID1148138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7037

Benzhydrol

C13H12O

HCID75609

p-Bromophenyl isocyanate

C7H4BrNO

HCID15291669

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Oc1ccccc1C(=O)O

HCID15291672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-802c8425f6584339bfa4d3fd69b97734
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

[Br:36][c:37]1[cH:38][cH:39][c:40]([N:43]=[C:44]=[O:45])[cH:41][cH:42]1.[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:46]1[cH:47][cH:48][n:49][cH:50][cH:51]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:44]([NH:43][c:40]1[cH:39][cH:38][c:37]([Br:36])[cH:42][cH:41]1)=[O:45]