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Hydrochloric Acid → 5-Methyl-2-{2-oxo-2-[2-(5-pyrimidin-2-yl-indan-1-yl)-2,7-diaza-spiro[3.5]non-7-yl]ethyl}benzoic acid

HRID 669957
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인쇄 미리보기

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HRID 669957 반응식
[C:1](=[O:2])([OH:3])[CH2:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([CH3:14])[cH:12][cH:13]1.[CH3:15][C:16](=[O:17])[Cl:18].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[ClH:19].[ClH:20].[n:21]1[c:22](-[c:27]2[cH:28][c:29]3[c:33]([cH:34][cH:35]2)[CH:32]([N:36]2[CH2:37][C:38]4([CH2:39]2)[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]4)[CH2:31][CH2:30]3)[n:23][cH:24][cH:25][cH:26]1>>[C:1](=[O:3])([CH2:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([CH3:14])[cH:12][cH:13]1)[N:42]1[CH2:41][CH2:40][C:38]2([CH2:37][N:36]([CH:32]3[CH2:31][CH2:30][c:29]4[cH:28][c:27](-[c:22]5[n:21][cH:26][cH:25][cH:24][n:23]5)[cH:35][cH:34][c:33]43)[CH2:39]2)[CH2:44][CH2:43]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 6367Acetyl chlorideHCID 8471TriethylamineHCID 125931292-(Carboxymethyl)-5-methylbenzoic acidHCID 674119812-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane

생성물 1

HCID 67405918
5-Methyl-2-{2-oxo-2-[2-(5-pyrimidin-2-yl-indan-1-yl)-2,7-diaza-spiro[3.5]non-7-yl]ethyl}benzoic acid

출처 및 근거

ORD 기록
ord-19a78128853648efb8c6139231389a63
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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