HRID2319701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID64800

Benzenepropanoic acid, .alpha.-(phenylmethyl)-

C16H16O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：C=CC(CC(O)C(CC1CCCCC1)NC(=O)C(N)Cc1c[nH]cn1)C(C)C

HCID178447062

未命名化合物

PRODUCTS

生成物

结构：C=CC(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C

HCID178447049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c368c4df19294304b237d77185cd177b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([C:9](=[O:10])[OH:11])[CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH2:47]([N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1)[CH3:54].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[CH:65]1([N:66]=[C:67]=[N:68][CH:69]2[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]2)[CH2:75][CH2:76][CH2:77][CH2:78][CH2:79]1.[NH2:19][CH:20]([C:21](=[O:22])[NH:23][CH:24]([CH:25]([CH2:26][CH:27]([CH:28]=[CH2:29])[CH:30]([CH3:31])[CH3:32])[OH:33])[CH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)[CH2:41][c:42]1[n:43][cH:44][nH:45][cH:46]1.[OH:55][n:56]1[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[n:63][n:64]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([C:9](=[O:11])[NH:19][CH:20]([C:21](=[O:22])[NH:23][CH:24]([CH:25]([CH2:26][CH:27]([CH:28]=[CH2:29])[CH:30]([CH3:31])[CH3:32])[OH:33])[CH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)[CH2:41][c:42]1[n:43][cH:44][nH:45][cH:46]1)[CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1