HRID184896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID294894

n-boc-gamma-aminobutyric acid

C9H17NO4

结构：COC(=O)c1cc(-c2cc(SCCNC(=O)OC(C)(C)C)nc(N)n2)c(C)cc1OC

HCID59224672

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2cc(SCCNC(=O)CCCNC(=O)OC(C)(C)C)nc(N)n2)c(C)cc1OC

HCID59224683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f0f251083c248e5941e7d75a4c47b61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[NH:46][CH2:47][CH2:48][CH2:49][C:50](=[O:51])[OH:52].[CH2:73]([N:74]=[C:75]=[N:76][CH2:77][CH2:78][CH2:79][N:80]([CH3:81])[CH3:82])[CH3:83].[CH3:1][O:2][C:3]([c:4]1[c:5]([O:29][CH3:30])[cH:6][c:7]([CH3:28])[c:8](-[c:10]2[n:11][c:12]([NH2:27])[n:13][c:14]([S:16][CH2:17][CH2:18][NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:15]2)[cH:9]1)=[O:31].[CH:63]([N:64]([CH:65]([CH3:66])[CH3:67])[CH2:68][CH3:69])([CH3:70])[CH3:71].[Cl-:84].[Cl:86][CH2:87][Cl:88].[ClH:72].[NH4+:85].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([O:29][CH3:30])[cH:6][c:7]([CH3:28])[c:8](-[c:10]2[n:11][c:12]([NH2:27])[n:13][c:14]([S:16][CH2:17][CH2:18][NH:19][C:50]([CH2:49][CH2:48][CH2:47][NH:46][C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])=[O:52])[cH:15]2)[cH:9]1)=[O:31]