HRID200935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID21094662

未命名化合物

结构：CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(CC(O)(C3)C1)C2

HCID23596413

α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid

C17H27NO5

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)N1C(C(N)=O)CC2CC21)C12CC3CC(CC(O)(C3)C1)C2

HCID72976182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c91233ffe2a45dbbef3b8980af8c7c7
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

[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[OH:11])[C:12]12[CH2:13][C:14]3([OH:22])[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]1)[CH2:20]3)[CH2:21]2)[CH3:23].[CH3:24][S:25](=[O:26])(=[O:27])[Cl:28].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[CH:39]12[NH:40][CH:41]([C:45](=[O:46])[NH2:47])[CH2:42][CH:43]1[CH2:44]2.[ClH:38].[OH:48][c:49]1[c:50]2[n:51][n:52][nH:53][c:54]2[cH:55][cH:56][cH:57]1>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[N:40]1[CH:39]2[CH:43]([CH2:42][CH:41]1[C:45](=[O:46])[NH2:47])[CH2:44]2)[C:12]12[CH2:13][C:14]3([OH:22])[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]1)[CH2:20]3)[CH2:21]2)[CH3:23]