HRID665657

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

HCID19762424

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(NCc2ccnc3ccccc23)cc1

HCID19762443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4a2d961974e42ea9b63a0a5e6f7065c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:1].[NH2:52][CH:53]1[CH2:54][CH2:55][N:56]([CH2:59][c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[CH2:57][CH2:58]1.[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1.[n:24]1[cH:25][cH:26][c:27]([CH2:34][NH:35][c:36]2[cH:37][cH:38][c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12>>[n:24]1[cH:25][cH:26][c:27]([CH2:34][NH:35][c:36]2[cH:37][cH:38][c:39]([C:40](=[O:42])[NH:52][CH:53]3[CH2:54][CH2:55][N:56]([CH2:59][c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[CH2:57][CH2:58]3)[cH:43][cH:44]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12