HRID2337919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7519

Anisole

C7H8O

结构：CC(C)(C)OC(=O)N1CCC(COCC(NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccc(F)cc2)CC1

HCID69307946

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(COCC1CCNCC1)c1ccc(F)cc1)c1ccc2c(Cl)c[nH]c2c1

HCID69309629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-699469dc0c5c46a5a1dc8b99c4a96138
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:9]([O:10][C:11](=[O:12])[N:16]1[CH2:17][CH2:18][CH:19]([CH2:22][O:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[NH:33][C:34](=[O:35])[c:36]2[cH:37][cH:38][c:39]3[c:40]([Cl:45])[cH:41][nH:42][c:43]3[cH:44]2)[CH2:20][CH2:21]1)([CH3:13])([CH3:14])[CH3:15].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[NH:16]1[CH2:17][CH2:18][CH:19]([CH2:22][O:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[NH:33][C:34](=[O:35])[c:36]2[cH:37][cH:38][c:39]3[c:40]([Cl:45])[cH:41][nH:42][c:43]3[cH:44]2)[CH2:20][CH2:21]1