HRID159112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID1094966

N,N-dimethylpiperazine-1-sulfonamide

C6H15N3O2S

HCID2724942

未命名化合物

结构：CC1CCC(N(C(=O)Nc2ncc(C=O)s2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1

HCID57883803

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(N(C(=O)Nc2ncc(CN3CCN(S(=O)(=O)N(C)C)CC3)s2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1

HCID57883909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55f640fcab3e4115a20614151a4c5150
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])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([C:15](=[O:16])[NH:17][c:18]2[s:19][c:20]([CH:23]=[O:24])[cH:21][n:22]2)[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[CH2:12][CH2:13]1.[C:52]([O:53][BH-:54]([O:55][C:56](=[O:57])[CH3:58])[O:59][C:60](=[O:61])[CH3:62])(=[O:63])[CH3:64].[CH2:45]([N:46]([CH2:47][CH3:48])[CH2:49][CH3:50])[CH3:51].[CH3:33][N:34]([S:35](=[O:36])(=[O:37])[N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1)[CH3:44].[ClH:32].[Na+:65]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([C:15](=[O:16])[NH:17][c:18]2[s:19][c:20]([CH2:23][N:41]3[CH2:40][CH2:39][N:38]([S:35]([N:34]([CH3:33])[CH3:44])(=[O:36])=[O:37])[CH2:43][CH2:42]3)[cH:21][n:22]2)[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[CH2:12][CH2:13]1