HRID682456

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

HCID15908

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

C8H17N3

HCID153404

1,2-Benzenediamine, 4-methoxy- (9CI)

C7H10N2O

结构：O=C(O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc21

HCID57495416

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)CCCCCNC(=O)C=C2c3ccccc3-c3ccccc32)c(N)c1

HCID44540342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e2532bcc49e4ba6b1a2bee76db6ddb5
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

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