HRID1177496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21100040

Methyl azetidine-3-carboxylate--hydrogen chloride (1/1)

C5H10ClNO2

结构：O=Cc1ccc(-c2nc3ccc(C4(c5ccc(OCc6ccccc6)cc5)CC4)nc3s2)c(F)c1

HCID86638715

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccc(OCc7ccccc7)cc6)CC5)nc4s3)c(F)c2)C1

HCID67111767

未命名化合物

PROCEDURE

实验过程

Synthesized from 4-(5-(1-(4-(benzyloxy)phenyl)cyclopropyl)thiazolo[5,4-b]pyridine-2-yl)-3-fluorobenzaldehyde (0.224 g, 0.466 mmol) and methyl azetidine-3-carboxylate hydrochloride (0.177 g, 1.17 mmol) according to the general procedure for reductive amination to give methyl 1-(4-(5-(1-(4-(benzyloxy)phenyl)cyclopropyl)-thiazolo[5,4-b]pyridine-2-yl)-3-fluorobenzyl)azetidine-3-carboxylate as a yellow solid. MS (ESI) m/z: calculated: 579.2; Observed: 580.1 (M++1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc61cd97aa24140a9d66064d2071907
来源数据集: uspto-grants-2010_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07842685B2
来源说明: uspto-grants-2010_11

反应 SMILES

[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2([C:18]3[N:23]=[C:22]4[S:24][C:25]([C:27]5[CH:34]=[CH:33][C:30]([CH:31]=O)=[CH:29][C:28]=5[F:35])=[N:26][C:21]4=[CH:20][CH:19]=3)[CH2:17][CH2:16]2)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[NH:37]1[CH2:40][CH:39]([C:41]([O:43][CH3:44])=[O:42])[CH2:38]1>>[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([C:15]2([C:18]3[N:23]=[C:22]4[S:24][C:25]([C:27]5[CH:34]=[CH:33][C:30]([CH2:31][N:37]6[CH2:40][CH:39]([C:41]([O:43][CH3:44])=[O:42])[CH2:38]6)=[CH:29][C:28]=5[F:35])=[N:26][C:21]4=[CH:20][CH:19]=3)[CH2:17][CH2:16]2)=[CH:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1