HRID204643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID9877845

(4-amino-benzyl)-methyl-(tetrahydro-pyran -4-yl)-amine

C13H20N2O

结构：O=C(O)C1=Cc2cc(-c3ccc(-n4ccnc4)cc3)ccc2OCC1

HCID18472624

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(-n5ccnc5)cc4)ccc3OCC2)cc1)C1CCOCC1

HCID18472499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fc5c59f22154e8d9806f0112136668f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:53]([N:54]=[C:55]=[N:56][CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[CH3:62])[CH3:63].[CH3:26][N:27]([CH:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1)[CH2:34][c:35]1[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][N:70]([CH3:71])[c:72]1[cH:73][cH:74][n:75][cH:76][cH:77]1.[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[ClH:52].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1.[n:1]1(-[c:6]2[cH:7][cH:8][c:9](-[c:12]3[cH:13][cH:14][c:15]4[c:16]([cH:25]3)[CH:17]=[C:18]([C:22](=[O:23])[OH:24])[CH2:19][CH2:20][O:21]4)[cH:10][cH:11]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9](-[c:12]3[cH:13][cH:14][c:15]4[c:16]([cH:25]3)[CH:17]=[C:18]([C:22](=[O:23])[NH:39][c:38]3[cH:37][cH:36][c:35]([CH2:34][N:27]([CH3:26])[CH:28]5[CH2:29][CH2:30][O:31][CH2:32][CH2:33]5)[cH:41][cH:40]3)[CH2:19][CH2:20][O:21]4)[cH:10][cH:11]2)[cH:2][n:3][cH:4][cH:5]1