HRID2162204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID252597

4-(benzoylamino)benzoic acid

C14H11NO3

HCID21939721

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC1CCc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc2C1

HCID21939730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf5af78f10d048959052f36603ed8f09
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

[C:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)(=[O:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[ClH:1].[NH2:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[CH2:9][CH:8]([CH2:13][N:14]([CH3:15])[CH3:16])[CH2:7][CH2:6]2.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:61].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[NH:2]([c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[CH2:9][CH:8]([CH2:13][N:14]([CH3:15])[CH3:16])[CH2:7][CH2:6]2)[C:30]([c:29]1[cH:28][cH:27][c:26]([NH:25][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[cH:34][cH:33]1)=[O:31]