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Water → Tert-butyl 9-(4-methylpiperazine-1-carbonyl)-3-azaspiro[5.5]undecane-3-carboxylate

HRID 1213278
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HRID 1213278 반응식
[B-:1]([F:2])([F:3])([F:4])[F:5].[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[N:41]1[CH2:42][CH2:43][C:44]2([CH2:45][CH2:46]1)[CH2:47][CH2:48][CH:49]([C:52](=[O:53])[OH:54])[CH2:50][CH2:51]2.[CH2:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH:67]([CH3:68])[CH3:69])[CH3:70].[CH3:55][N:56]1[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:23].[OH:24][n:25]1[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[N:41]1[CH2:42][CH2:43][C:44]2([CH2:45][CH2:46]1)[CH2:47][CH2:48][CH:49]([C:52](=[O:54])[N:59]1[CH2:58][CH2:57][N:56]([CH3:55])[CH2:61][CH2:60]1)[CH2:50][CH2:51]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 962WaterHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 531671-MethylpiperazineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 15228705
3-(tert-Butoxycarbonyl)-3-azaspiro[5.5]undecane-9-carboxylic acid

생성물 1

HCID 67546380Tert-butyl 9-(4-methylpiperazine-1-carbonyl)-3-azaspiro[5.5]undecane-3-carboxylate

출처 및 근거

ORD 기록
ord-53d4104016624abe9bb41f0798bf7690
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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