HRID121581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID28486

Lithium ion

Li+

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

HCID39240004

未命名化合物

PRODUCTS

生成物

结构：CN1CCc2nc(C(=O)NCCNC(=O)OC(C)(C)C)sc2C1

HCID58822056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f2d5cda11fd4ef1bb2c3982c4259c1c
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

[CH3:12][N:13]1[CH2:14][c:15]2[c:16]([n:19][c:20]([C:22](=[O:23])[O-:24])[s:21]2)[CH2:17][CH2:18]1.[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[ClH:26].[Li+:25].[NH2:1][CH2:2][CH2:3][NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11].[OH2:38].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[NH:1]([CH2:2][CH2:3][NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[C:22]([c:20]1[n:19][c:16]2[c:15]([s:21]1)[CH2:14][N:13]([CH3:12])[CH2:18][CH2:17]2)=[O:23]