HRID1203409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11564634

4-methyl-4-(methyldisulfanyl)pentanoic acid

C7H14O2S2

HCID57570932

未命名化合物

PRODUCTS

生成物

结构：CSSC(C)(C)CCC(=O)NCCCOc1cc(CO)cc(CO)c1

HCID57570917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe2ce7d5b11c4495bc01f7a7b8ea713e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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