HRID178190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID46835556

tert-Butyl 3-(4-amino-2-methoxyphenoxy)azetidine-1-carboxylate

C15H22N2O4

HCID68948953

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2CCO)ccc1OC1CN(C(=O)OC(C)(C)C)C1

HCID68952325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6eea20999a5e4b289ac6ada517b9b70a
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

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