HRID1207796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

结构：COc1cc(F)ccc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID17985026

未命名化合物

HCID17985041

7-Fluoro-2-methylquinazolin-5-amine

C9H8FN3

PRODUCTS

生成物

结构：COc1cc(F)ccc1C(C)(C)CC(O)(C=Nc1cc(F)cc2nc(C)ncc12)C(F)(F)F

HCID17985054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23c36cd1e8e440a5b0e2ce8093a39608
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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