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Acetic Acid → N-(4-dipropylamino-butyl)-4-{[(1-methyl-1H-imidazol-2-ylmethyl)-(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-benzamide

HRID 182553
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HRID 182553 반응식
[C:30]([BH3-:31])#[N:32].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10]([c:11]1[cH:12][cH:13][c:14]([CH2:17][NH:18][CH2:19][c:20]2[n:21]([CH3:25])[cH:22][cH:23][n:24]2)[cH:15][cH:16]1)=[O:26])[CH2:27][CH2:28][CH3:29].[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][c:39]1[cH:40][cH:41][c:42]([CH:45]=[O:46])[n:43][cH:44]1.[CH3:47][OH:48].[Na+:33].[OH2:49]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10]([c:11]1[cH:12][cH:13][c:14]([CH2:17][N:18]([CH2:19][c:20]2[n:21]([CH3:25])[cH:22][cH:23][n:24]2)[CH2:45][c:42]2[cH:41][cH:40][c:39]([CH3:38])[cH:44][n:43]2)[cH:15][cH:16]1)=[O:26])[CH2:27][CH2:28][CH3:29]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 498716Cyano-borohydrideHCID 104643395-Methylpyridine-2-carbaldehydeHCID 67103805N-(4-dipropylamino-butyl)-4-{[(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide

생성물

1
HCID 11627535N-(4-dipropylamino-butyl)-4-{[(1-methyl-1H-imidazol-2-ylmethyl)-(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-benzamide

출처 및 근거

ORD 기록
ord-31aac2d2ca004c2d8ee12501296474c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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