HRID694691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID17805625

未命名化合物

结构：CC(C)CNNC(=O)C(CC(C)C)C(CCCC1CCCCC1)C(=O)NOC1CCCCO1

HCID178449891

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN(CC(C)C)C(=O)CC(=O)n1ccnc1)C(CCCC1CCCCC1)C(=O)NOC1CCCCO1

HCID178445379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9483f539bc9447ebe13b06676cb84f5
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

[BrH:1].[CH2:46]([N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1)[CH3:53].[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH:13]1([CH2:19][CH2:20][CH2:21][CH:22]([C:23]([NH:24][O:25][CH:26]2[O:27][CH2:28][CH2:29][CH2:30][CH2:31]2)=[O:32])[CH:33]([C:34](=[O:35])[NH:36][NH:37][CH2:38][CH:39]([CH3:40])[CH3:41])[CH2:42][CH:43]([CH3:44])[CH3:45])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[ClH:54].[n:2]1([C:7](=[O:8])[CH2:9][C:10](=[O:11])[OH:12])[cH:3][n:4][cH:5][cH:6]1>>[n:2]1([C:7](=[O:8])[CH2:9][C:10](=[O:12])[N:37]([NH:36][C:34]([CH:33]([CH:22]([CH2:21][CH2:20][CH2:19][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[C:23]([NH:24][O:25][CH:26]2[O:27][CH2:28][CH2:29][CH2:30][CH2:31]2)=[O:32])[CH2:42][CH:43]([CH3:44])[CH3:45])=[O:35])[CH2:38][CH:39]([CH3:40])[CH3:41])[cH:3][n:4][cH:5][cH:6]1