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Hydrochloric Acid → 1'-(1-(pyrazin-2-yl)piperidin-4-yl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one

HRID 2325168
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HRID 2325168 반응식
[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([NH2:17])[cH:18][cH:19][cH:20][cH:21]2)[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[ClH:33].[ClH:34].[I:57][c:58]1[n:59][cH:60][cH:61][n:62][cH:63]1.[NH:35]1[CH2:36][CH2:37][CH:38]([N:41]2[CH2:42][CH2:43][C:44]3([c:45]4[c:46]([cH:51][cH:52][cH:53][cH:54]4)[NH:47][C:48](=[O:50])[O:49]3)[CH2:55][CH2:56]2)[CH2:39][CH2:40]1.[Na+:32].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1>>[N:35]1([c:58]2[n:59][cH:60][cH:61][n:62][cH:63]2)[CH2:36][CH2:37][CH:38]([N:41]2[CH2:42][CH2:43][C:44]3([c:45]4[c:46]([cH:51][cH:52][cH:53][cH:54]4)[NH:47][C:48](=[O:50])[O:49]3)[CH2:55][CH2:56]2)[CH2:39][CH2:40]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 923Sodium IonHCID 312751,4-DioxaneHCID 642841IodopyrazineHCID 45749132-Methylpropan-2-olateHCID 206074992'-(Dicyclohexylphosphino)biphenyl-2-amineHCID 250609561'-(piperidin-4-yl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one

생성물 1

HCID 250601731'-(1-(pyrazin-2-yl)piperidin-4-yl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one

출처 및 근거

ORD 기록
ord-d98fcfdcff694268b446fbe350de9533
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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