HRID2143651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID61011

1,3-Propanediamine, N,N-diethyl-

C7H18N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)O)C1

HCID9870914

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)NCCCN(CC)CC)C1

HCID18965141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-353d48d2f05841ff9dfb29fcffe436f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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