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Acetic Acid → 2-(6-Amino-5-(3-(6-benzyloxy-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridin-2-ylamino)-ethanol

HRID 135912
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HRID 135912 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][c:16]2[n:17][o:18][c:19](-[c:21]3[c:22]([NH2:28])[n:23][c:24]([NH2:27])[cH:25][cH:26]3)[cH:20]2)[cH:13][n:14]1.[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH3:43][C:44](=[O:45])[OH:46].[Na+:38].[OH:34][CH2:35][CH:36]=[O:37].[OH:39][C:40](=[O:41])[O-:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][c:16]2[n:17][o:18][c:19](-[c:21]3[c:22]([NH2:28])[n:23][c:24]([NH:27][CH2:36][CH2:35][OH:34])[cH:25][cH:26]3)[cH:20]2)[cH:13][n:14]1
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반응물 6

HCID 176Acetic AcidHCID 756GlycolaldehydeHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 441596033-(3-(6-Benzyloxy-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridine-2,6-diamine

생성물 1

HCID 59255376
2-(6-Amino-5-(3-(6-benzyloxy-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridin-2-ylamino)-ethanol

출처 및 근거

ORD 기록
ord-0283c66ab6574a06b7cea758b0535b13
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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