HRID309003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID18792213

未命名化合物

结构：COC(=O)c1c(Cc2ccc(C(=O)O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

HCID25181718

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(Cc2ccc(C(=O)NC(C)(C)CC(=O)N(C)C)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

HCID25181854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-715cbff6cb2440b4ab7c30883c4bcec8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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