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Acetic Acid → N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-({[(1-trityl-1H-imidazol-2-yl)methyl]amino}methyl)-1H-1,2,3-triazole-4-carboxamide

HRID 312944
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HRID 312944 반응식
[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[n:44]1[c:45]([CH:49]=[O:50])[n:46][cH:47][cH:48]1.[C:55]([O:56][BH-:57]([O:58][C:59](=[O:60])[CH3:61])[O:62][C:63](=[O:64])[CH3:65])(=[O:66])[CH3:67].[C:69](=[O:70])([O-:71])[OH:72].[CH3:51][C:52](=[O:53])[OH:54].[Cl:74][CH:75]([Cl:76])[CH3:77].[NH2:1][CH2:2][c:3]1[c:4]([C:19](=[O:20])[NH:21][CH:22]2[CH2:23][CH2:24]2)[n:5][n:6][n:7]1-[c:8]1[cH:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH2:17][CH3:18])[cH:12][cH:13]1.[Na+:68].[Na+:73]>>[NH:1]([CH2:2][c:3]1[c:4]([C:19](=[O:20])[NH:21][CH:22]2[CH2:23][CH2:24]2)[n:5][n:6][n:7]1-[c:8]1[cH:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH2:17][CH3:18])[cH:12][cH:13]1)[CH2:49][c:45]1[n:44]([C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:48][cH:47][n:46]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 63651,1-DichloroethaneHCID 6182531-(triphenylmethyl)-1H-imidazole-2-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 57664928HCID 57664928, 화합물

생성물

1
HCID 57664825N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-({[(1-trityl-1H-imidazol-2-yl)methyl]amino}methyl)-1H-1,2,3-triazole-4-carboxamide

출처 및 근거

ORD 기록
ord-73712c261adb4e90af20550cb38c03e4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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