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Acetate → [1-(6-{5-[6-(4-(2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-4-(2-methoxy-ethoxy)-pyrrolidin-2-yl]-3H-imidazol-4-yl)-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

HRID 951998
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HRID 951998 반응식
[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:21]2[nH:22][c:23](-[c:26]3[cH:27][cH:28][c:29]([Br:32])[cH:30][cH:31]3)[cH:24][n:25]2)[CH2:13][CH:14]([O:16][CH2:17][CH2:18][O:19][CH3:20])[CH2:15]1)=[O:33].[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][O:40][C:41]([NH:42][CH:43]([CH:44]([CH3:45])[CH3:46])[C:47](=[O:48])[N:49]1[CH2:50][C:51]2([CH2:52][CH2:53]2)[CH2:54][CH:55]1[c:56]1[nH:57][c:58](-[c:61]2[cH:62][c:63]3[cH:64][cH:65][c:66]([Br:71])[cH:67][c:68]3[cH:69][cH:70]2)[cH:59][n:60]1)=[O:72].[K+:34].[K+:84].[K+:85].[K+:86].[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[P:79]([O-:80])([O-:81])([O-:82])=[O:83]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:21]2[nH:22][c:23](-[c:26]3[cH:27][cH:28][c:29](-[c:66]4[cH:65][cH:64][c:63]5[cH:62][c:61](-[c:58]6[nH:57][c:56]([CH:55]7[N:49]([C:47]([CH:43]([NH:42][C:41]([O:40][CH3:39])=[O:72])[CH:44]([CH3:45])[CH3:46])=[O:48])[CH2:50][C:51]8([CH2:52][CH2:53]8)[CH2:54]7)[n:60][cH:59]6)[cH:70][cH:69][c:68]5[cH:67]4)[cH:30][cH:31]3)[cH:24][n:25]2)[CH2:13][CH:14]([O:16][CH2:17][CH2:18][O:19][CH3:20])[CH2:15]1)=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175AcetateHCID 813Potassium Cation4회HCID 1061PhosphateHCID 312751,4-DioxaneHCID 66620429{1-[2-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-4-(2-methoxy-ethoxy)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl esterHCID 66620764
(1-{6-[5-(6-Bromo-naphthalen-2-yl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

생성물 1

HCID 66620651[1-(6-{5-[6-(4-(2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-4-(2-methoxy-ethoxy)-pyrrolidin-2-yl]-3H-imidazol-4-yl)-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

출처 및 근거

ORD 기록
ord-325ed554e6244556bdcb01cb09460a0f
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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