HRID1882595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2776550

1-Methyl-1H-benzotriazole-5-carbonyl chloride

C8H6ClN3O

结构：CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccc(O)cc4)c4ccc(O)cc4)nc(N4CC[C@@H](NC(=O)c5ccncc5)C4)nc32)[C@H](O)[C@@H]1O.Cl

HCID66629861

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccc(O)cc4)c4ccc(O)cc4)nc(N4CC[C@@H](NC(=O)c5ccc6c(c5)nnn6C)C4)nc32)[C@H](O)[C@@H]1O.Cl

HCID66630470

未命名化合物

PROCEDURE

实验过程

This compound is prepared analogously to N-{(R)-1-[6-[2,2-Bis-(4-hydroxy-phenyl)-ethylamino]-9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-9H-purin-2-yl]-pyrrolidin-3-yl}-isonicotinamide hydrochloride (Example 158) by replacing isonicotinoyl chloride hydrochloride with 1-methyl-1H-1,2,3-benzotriazole-5-carbonyl chloride. (MH+ 762.4)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5a326bb52d549e0876e2ccbc980cc8a
来源数据集: uspto-grants-2012_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08318750B2
来源说明: uspto-grants-2012_11

反应 SMILES

Cl.[OH:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]([C:47]2[CH:52]=[CH:51][C:50]([OH:53])=[CH:49][CH:48]=2)[CH2:10][NH:11][C:12]2[N:20]=[C:19]([N:21]3[CH2:25][CH2:24][C@@H:23]([NH:26][C:27](=[O:34])[C:28]4[CH:33]=[CH:32][N:31]=[CH:30][CH:29]=4)[CH2:22]3)[N:18]=[C:17]3[C:13]=2[N:14]=[CH:15][N:16]3[C@@H:35]2[CH2:39][C@H:38]([NH:40][C:41](=[O:44])[CH2:42][CH3:43])[C@@H:37]([OH:45])[C@H:36]2[OH:46])=[CH:5][CH:4]=1.[CH3:54][N:55]1[C:59]2C=CC(C([Cl:66])=O)=CC=2N=[N:56]1>>[ClH:66].[OH:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]([C:47]2[CH:48]=[CH:49][C:50]([OH:53])=[CH:51][CH:52]=2)[CH2:10][NH:11][C:12]2[N:20]=[C:19]([N:21]3[CH2:25][CH2:24][C@@H:23]([NH:26][C:27]([C:28]4[CH:33]=[CH:32][C:54]5[N:55]([CH3:59])[N:56]=[N:31][C:30]=5[CH:29]=4)=[O:34])[CH2:22]3)[N:18]=[C:17]3[C:13]=2[N:14]=[CH:15][N:16]3[C@@H:35]2[CH2:39][C@H:38]([NH:40][C:41](=[O:44])[CH2:42][CH3:43])[C@@H:37]([OH:45])[C@H:36]2[OH:46])=[CH:5][CH:4]=1