HRID2150243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID688396

1-[(tert-Butoxycarbonyl)amino]cyclopropane-1-carboxylic acid

C9H15NO4

HCID58304044

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC2CCc3ccccc3-n3ccnc32)CC1

HCID67234386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-156f3bc5b1d74e17aabd2ec82e90c384
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

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