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Ammonium → 1-(1,1-Dimethylethyl) 4-methyl 4-[(4-chlorophenyl)methyl]-1,4-piperidinedicarboxylate

HRID 677191
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HRID 677191 반응식
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH2:5]([Li:6])[CH2:7][CH2:8][CH3:9].[CH3:11][CH:12]([N-:13][CH:14]([CH3:15])[CH3:16])[CH3:17].[CH3:18][O:19][C:20](=[O:21])[CH:22]1[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1.[CH3:1][CH:2]([NH2:3])[CH3:4].[CH3:51][N:52]([CH3:53])[P:54]([N:55]([CH3:56])[CH3:57])([N:58]([CH3:59])[CH3:60])=[O:61].[Cl-:44].[Cl:35][c:36]1[cH:37][cH:38][c:39]([CH2:40][Cl:41])[cH:42][cH:43]1.[Li+:10].[NH4+:45]>>[CH3:18][O:19][C:20](=[O:21])[C:22]1([CH2:40][c:39]2[cH:38][cH:37][c:36]([Cl:35])[cH:43][cH:42]2)[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 223AmmoniumHCID 312ChlorideHCID 6363IsopropylamineHCID 77231-Chloro-4-(chloromethyl)benzeneHCID 8028TetrahydrofuranHCID 12679HexamethylphosphoramideHCID 28486Lithium ion
HCID 392870
1-N-Boc-4-Piperidinecarboxylic acid methyl ester
HCID 5062348Diisopropylamide
HCID 178418339Butyllithium

생성물 1

HCID 598404671-(1,1-Dimethylethyl) 4-methyl 4-[(4-chlorophenyl)methyl]-1,4-piperidinedicarboxylate

출처 및 근거

ORD 기록
ord-0446c530db594bb9b132f69a0a3c6443
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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