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Acetic Acid → (4-dipropylamino-butyl)-(4-[[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl]-benzyl)-carbamic acid t-butyl ester

HRID 103232
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HRID 103232 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][NH:16][CH2:17][c:18]2[nH:19][cH:20][cH:21][n:22]2)[cH:13][cH:14]1)[CH2:23][CH2:24][CH2:25][CH2:26][N:27]([CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH3:33])=[O:34].[C:35]([BH3-:36])#[N:37].[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][n:44]1[c:45]([CH:49]=[O:50])[n:46][cH:47][cH:48]1.[CH3:51][OH:52].[Na+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][N:16]([CH2:17][c:18]2[nH:19][cH:20][cH:21][n:22]2)[CH2:49][c:45]2[n:44]([CH3:43])[cH:48][cH:47][n:46]2)[cH:13][cH:14]1)[CH2:23][CH2:24][CH2:25][CH2:26][N:27]([CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH3:33])=[O:34]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 66941456(4-dipropylaminobutyl)-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)carbamic Acid t-butyl Ester

생성물 1

HCID 11592205
(4-dipropylamino-butyl)-(4-[[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl]-benzyl)-carbamic acid t-butyl ester

출처 및 근거

ORD 기록
ord-b1a66bab21e54e729d10da6322565a0a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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