HRID1569782

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

HCID21643702

4-[(2-tert-Butoxy-2-oxoethyl)amino]butanoic acid

C10H19NO4

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)CCCNCC(=O)OC(C)(C)C)nc(N)n2)c(C)cc1OC

HCID68417685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e2b9548c1df47edbc10d48a0a97201a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[CH2:46][NH:47][CH2:48][CH2:49][CH2:50][C:51]([OH:52])=[O:53].[CH2:74]([N:75]=[C:76]=[N:77][CH2:78][CH2:79][CH2:80][N:81]([CH3:82])[CH3:83])[CH3:84].[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])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:15]2)[cH:9]1)=[O:31].[CH:64]([N:65]([CH:66]([CH3:67])[CH3:68])[CH2:69][CH3:70])([CH3:71])[CH3:72].[Cl-:85].[Cl:87][CH2:88][Cl:89].[ClH:73].[NH4+:86].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]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:20](=[O:21])[CH2:50][CH2:49][CH2:48][NH:47][CH2:46][C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[cH:15]2)[cH:9]1)=[O:31]