HRID2133791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4770990

1H-Pyrazol-4-amine, 1-methyl-

C4H7N3

结构：Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)O)cn1

HCID68442825

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)Nc2cnn(C)c2)cn1

HCID57520577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dda7dca56dff463195a06418c17fcb74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:25][n:26]1[n:27][cH:28][c:29]([NH2:31])[cH:30]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[cH:6][cH:7]1.[OH2:32].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:21])[NH:31][c:29]3[cH:28][n:27][n:26]([CH3:25])[cH:30]3)[cH:22][cH:23]2)[cH:6][cH:7]1