HRID1144133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

HCID4247255

N-Boc-2-aminoacetaldehyde

C7H13NO3

结构：CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCNCC4)n3)ccc21

HCID58246461

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1

HCID44622055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4608233bdc64cc1822966531f926f60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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