HRID96383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(Cc1ccc(Cl)cc1)C(=O)O

HCID4164897

N-(tert-Butoxycarbonyl)-4-chlorophenylalanine

C14H18ClNO4

HCID22185336

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCC(CO)(N2CCCCC2)CC1

HCID21023784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-121a043ba53c487cadf641620dc95942
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

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