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Acetic Acid → 3-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidine-1-carboxylic acid tert-butyl ester

HRID 315979
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인쇄 미리보기

반응식

HRID 315979 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[CH:12][c:13]2[n:14]([CH3:39])[c:15]3[n:16][c:17](-[n:28]4[c:29]([CH2:37][CH3:38])[n:30][c:31]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1.[C:43]([OH:44])(=[O:45])[CH3:46].[CH3:40][CH2:41][OH:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:12][c:13]2[n:14]([CH3:39])[c:15]3[n:16][c:17](-[n:28]4[c:29]([CH2:37][CH3:38])[n:30][c:31]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1
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반응물 3

HCID 176Acetic AcidHCID 702EthanolHCID 596052023-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethylene]azetidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 596056563-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-59f8a32e12e44b0a960830aec5ddcd65
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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