HRID941247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID46835572

2-(Trifluoromethyl)pyrimidine-4-carboxylic acid

C6H3F3N2O2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1)c1ccnc(C(F)(F)F)n1

HCID57505684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74a15d050bc24f63b826073133268ca6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:37].[F:24][C:25]([c:26]1[n:27][cH:28][cH:29][c:30]([C:32](=[O:33])[OH:34])[n:31]1)([F:35])[F:36].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1.[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1)[C:32]([c:30]1[cH:29][cH:28][n:27][c:26]([C:25]([F:24])([F:35])[F:36])[n:31]1)=[O:33]