HRID110025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

HCID72782750

未命名化合物

PRODUCTS

生成物

结构：CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)N1CCN(C)CC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

HCID178484713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12d2c5821bdc4f5aaa704530bf48e2f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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