HRID1215395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID335255

1-(tert-Butoxycarbonyl)-4-hydroxyproline

C10H17NO5

HCID4574913

未命名化合物

结构：COc1ccc2c(O)cc(-c3csc(NC(C)C)n3)nc2c1

HCID178487686

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(OC3CC(C(=O)O)N(C(=O)OC(C)(C)C)C3)cc(-c3csc(NC(C)C)n3)nc2c1

HCID74955511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1099e5b0dbaf47069e5213ea3e49e739
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

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