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Acetic Acid → 2-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-6-(4-dipropylaminobutyl)-naphthalene

HRID 689837
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반응식

HRID 689837 반응식
[C:30]([BH3-:31])#[N:32].[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][n:39]1[c:40]([CH:44]=[O:45])[n:41][cH:42][cH:43]1.[CH3:46][OH:47].[Na+:33].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][c:14]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]([CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29])[cH:15][c:16]3[cH:17][cH:18]2)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][c:14]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]([CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29])[cH:15][c:16]3[cH:17][cH:18]2)[CH2:44][c:40]2[n:39]([CH3:38])[cH:43][cH:42][n:41]2)[n:3][cH:4][cH:5]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 210843702-{[(1H-imidazol-2-ylmethyl)amino]methyl}-6-(4-dipropylaminobutyl)naphthalene

생성물 1

HCID 58801912
2-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-6-(4-dipropylaminobutyl)-naphthalene

출처 및 근거

ORD 기록
ord-bf6f313fb181463fa5c0f29987c27198
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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