HRID173847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID39129

Methyl 3-hydroxyphenylacetate

C9H10O3

HCID90290

tert-Butyl 2-bromo-2-methylpropionate

C8H15BrO2

结构：CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CC(=O)O)c1

HCID18766414

未命名化合物

HCID21935832

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1NC(=O)Cc1cccc(OC(C)(C)C(=O)OC(C)(C)C)c1

HCID67072142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97f75b81a137494a8ec91a778790ada1
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

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