HRID1219097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6386

tert-Butyl alcohol

C4H10O

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID735965

2-Amino-4,5-difluorobenzoic acid

C7H5F2NO2

HCID18426257

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(F)c(F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)C1

HCID508849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7908469d151c4ead8dfcc3eadebb9ecc
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

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