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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetic Acid → 6-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-2-carboxylic acid-(4-dipropylamino-butyl)-amide

HRID 1214378
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HRID 1214378 반응식
[C:40]([BH3-:41])#[N:42].[C:44](=[O:45])([O-:46])[OH:47].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10](=[O:11])[c:12]1[n:13][c:14]2[n:15]([cH:28]1)[CH2:16][CH:17]([CH2:20][NH:21][CH2:22][c:23]1[nH:24][cH:25][cH:26][n:27]1)[CH2:18][CH2:19]2)[CH2:29][CH2:30][CH3:31].[CH3:32][n:33]1[c:34]([CH:38]=[O:39])[n:35][cH:36][cH:37]1.[CH3:49][OH:50].[CH3:51][C:52](=[O:53])[OH:54].[Na+:43].[Na+:48]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10](=[O:11])[c:12]1[n:13][c:14]2[n:15]([cH:28]1)[CH2:16][CH:17]([CH2:20][N:21]([CH2:22][c:23]1[nH:24][cH:25][cH:26][n:27]1)[CH2:38][c:34]1[n:33]([CH3:32])[cH:37][cH:36][n:35]1)[CH2:18][CH2:19]2)[CH2:29][CH2:30][CH3:31]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 231554046-{[(1H-imidazol-2-ylmethyl)-amino]-methyl}-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-2-carboxylic acid-(4-dipropylamino-butyl)-amide

생성물 1

HCID 583458086-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-2-carboxylic acid-(4-dipropylamino-butyl)-amide

출처 및 근거

ORD 기록
ord-6f08e98731d64893b78453089de770b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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