HRID1128897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18316687

未命名化合物

反应SMILES：Cc1cccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)O)c1

HCID178425002

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cccc(CCCC(NC(=O)C(Cc2cccc(C)c2)NC(=O)C(c2ccccc2)c2ccccc2)C(N)=O)c1

HCID178497753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6dd7c946e11e4d6bb4454944fbe0f1db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:20][c:21]1[cH:22][c:23]([CH2:24][CH:25]([NH:26][C:27]([CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])[C:42](=[O:43])[OH:44])[cH:45][cH:46][cH:47]1.[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH3:66][N:67]([CH3:68])[CH2:69][CH2:70][CH2:71][N:72]=[C:73]=[N:74][CH2:75][CH3:76].[Cl:78][CH2:79][Cl:80].[ClH:19].[ClH:77].[NH2:1][CH:2]([C:3](=[O:4])[NH2:5])[CH2:6][CH2:7][CH2:8][c:9]1[cH:10][c:11]([C:15](=[O:16])[O:17][CH3:18])[cH:12][cH:13][cH:14]1.[OH2:48].[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]([CH:2]([C:3](=[O:4])[NH2:5])[CH2:6][CH2:7][CH2:8][c:9]1[cH:10][c:11]([C:15](=[O:16])[O:17][CH3:18])[cH:12][cH:13][cH:14]1)[C:42]([CH:25]([CH2:24][c:23]1[cH:22][c:21]([CH3:20])[cH:47][cH:46][cH:45]1)[NH:26][C:27]([CH:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:41])=[O:43]