HRID211724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76258

3-Carboxy-2-chloropyridine

C6H4ClNO2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(NCC(=O)N1CCNCC1)c1ccc(-c2ccccc2)cc1

HCID57855677

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2cccnc2Cl)CC1)c1ccc(-c2ccccc2)cc1

HCID59559610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78ae6432eba94127b48ff2f5689e24ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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