HRID1143249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6811

Phthalic anhydride

C8H4O3

HCID7237

o-Xylene

C8H10

结构：COc1cc(N)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1

HCID13004203

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2C(=O)c3ccccc3C2=O)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1

HCID13745924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ea6774883e74b369c0b0c7816526729
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

[NH2:1][c:2]1[cH:3][c:4]([O:24][CH3:25])[c:5]([O:13][c:14]2[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]2)[c:6]2[c:7]([CH3:12])[cH:8][cH:9][n:10][c:11]12.[O:26]=[C:27]1[O:28][C:29](=[O:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21.[OH2:37].[c:38]1([CH3:39])[c:40]([CH3:41])[cH:42][cH:43][cH:44][cH:45]1>>[N:1]1([c:2]2[cH:3][c:4]([O:24][CH3:25])[c:5]([O:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:6]3[c:7]([CH3:12])[cH:8][cH:9][n:10][c:11]23)[C:27](=[O:26])[c:36]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[C:29]1=[O:28]