HRID696424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID85575

1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid

C11H12O3

结构：COc1ccc2c(=O)n(C)c(CCN)c(-c3ccccc3)c2c1

HCID11404067

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(C(=O)NCCc3c(-c4ccccc4)c4cc(OC)ccc4c(=O)n3C)CC2)cc1

HCID11260220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea6089d9fd524e72a6ace1ced9744405
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

[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([C:33]2([C:36](=[O:37])[OH:38])[CH2:34][CH2:35]2)[cH:31][cH:32]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:58][N:59]([CH3:60])[CH2:61][CH2:62][CH2:63][N:64]=[C:65]=[N:66][CH2:67][CH3:68].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[ClH:1].[ClH:57].[NH2:2][CH2:3][CH2:4][c:5]1[n:6]([CH3:24])[c:7](=[O:23])[c:8]2[cH:9][cH:10][c:11]([O:21][CH3:22])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[OH2:46].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH:2]([CH2:3][CH2:4][c:5]1[n:6]([CH3:24])[c:7](=[O:23])[c:8]2[cH:9][cH:10][c:11]([O:21][CH3:22])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[C:36]([C:33]1([c:30]2[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31]2)[CH2:34][CH2:35]1)=[O:37]