HRID1221811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(Cl)n2)cc1

HCID59548209

未命名化合物

HCID59548432

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C4OCCO4)cnc3F)n2)cc1

HCID60154995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64b7f4a2f38841ef958856a75989e3da
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

[CH3:50][C:51](=[O:52])[O-:53].[Cl:1][c:2]1[n:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1.[K+:49].[O:28]1[CH:29]([c:33]2[cH:34][c:35]([B:40]3[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]3)[c:36]([F:39])[n:37][cH:38]2)[O:30][CH2:31][CH2:32]1.[OH2:54]>>[c:2]1(-[c:35]2[cH:34][c:33]([CH:29]3[O:28][CH2:32][CH2:31][O:30]3)[cH:38][n:37][c:36]2[F:39])[n:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1