HRID162055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CNc1cc(Oc2ccc(N)cc2F)c2cc(OC)c(OC)cc2n1

HCID57810112

[4-(4-Amino-2-fluoro-phenoxy)-6,7-dimethoxy-quinolin-2-yl]-methyl-amine

C18H18FN3O3

结构：COc1cc2nc(SC)cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2cc1OC

HCID57810395

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)c2cc(OC)c(OC)cc2n1

HCID57810280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1e0ea70a07849fe8741bc4f29628930
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:26][O:27][c:28]1[cH:29][c:30]2[c:31]([cH:32][c:33]1[O:34][CH3:35])[n:36][c:37]([S:38][CH3:39])[cH:40][c:41]2[O:42][c:43]1[cH:44][cH:45][c:46]([NH:47][C:50](=[O:51])[C:52]2([C:55](=[O:56])[NH:57][c:58]3[cH:59][cH:60][c:61]([F:64])[cH:62][cH:63]3)[CH2:53][CH2:54]2)[cH:48][c:49]1[F:65].[NH2:1][c:2]1[cH:3][c:4]([F:25])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:21][CH3:22])[n:10][c:11]3[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][c:16]23)[cH:23][cH:24]1>>[NH:1]([c:2]1[cH:3][c:4]([F:25])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:21][CH3:22])[n:10][c:11]3[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][c:16]23)[cH:23][cH:24]1)[C:50](=[O:51])[C:52]1([C:55](=[O:56])[NH:57][c:58]2[cH:59][cH:60][c:61]([F:64])[cH:62][cH:63]2)[CH2:53][CH2:54]1