HRID174399

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

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID20804982

3-Amino-N-cyclopropyl-2-hydroxyhexanamide

C9H18N2O2

2 次

结构：CC(C)(C)OC(=O)NC(C(=O)N1CC2CCCC2C1C(=O)O)C(C)(C)C

HCID72355655

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(O)C(=O)NC1CC1

HCID178449241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9cc9e2bfbfc4619ace1e1846a2d6c17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:12]1[CH:13]([C:20](=[O:21])[OH:22])[CH:14]2[CH:15]([CH2:16]1)[CH2:17][CH2:18][CH2:19]2)[C:23]([CH3:24])([CH3:25])[CH3:26].[CH2:27]([N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36])[CH3:37].[CH3:48][N:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[CH3:85][N:86]([CH3:87])[CH:88]=[O:89].[Cl:82][CH2:83][Cl:84].[ClH:68].[NH2:55][CH:56]([CH:57]([C:58](=[O:59])[NH:60][CH:61]1[CH2:62][CH2:63]1)[OH:64])[CH2:65][CH2:66][CH3:67].[NH2:69][CH:70]([CH2:71][CH2:72][CH3:73])[CH:74]([OH:75])[C:76]([NH:77][CH:78]1[CH2:79][CH2:80]1)=[O:81].[OH2:90].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:12]1[CH:13]([C:20](=[O:21])[NH:55][CH:56]([CH:57]([C:58](=[O:59])[NH:60][CH:61]2[CH2:62][CH2:63]2)[OH:64])[CH2:65][CH2:66][CH3:67])[CH:14]2[CH:15]([CH2:16]1)[CH2:17][CH2:18][CH2:19]2)[C:23]([CH3:24])([CH3:25])[CH3:26]