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Ammonia → tert-Butyl 4-((1-methyl-1H-imidazol-4-yl)methyl)piperazine-1-carboxylate

HRID 2328287
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HRID 2328287 반응식
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[C:22]([O:23][BH-:24]([O:25][C:26](=[O:27])[CH3:28])[O:29][C:30](=[O:31])[CH3:32])(=[O:33])[CH3:34].[CH3:14][n:15]1[cH:16][n:17][c:18]([CH:20]=[O:21])[cH:19]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:54][CH:55]([CH3:56])[O-:57].[Cl:37][CH2:38][Cl:39].[Cl:58][Ti+3:59].[NH3:36].[Na+:35]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:20][c:18]2[n:17][cH:16][n:15]([CH3:14])[cH:19]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 222AmmoniaHCID 923Sodium IonHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 143452tert-Butyl piperazine-1-carboxylateHCID 5734191-Methyl-1H-imidazole-4-carbaldehydeHCID 2724942Triacetoxyborohydride
HCID 3260420
Isopropanolate
3회
HCID 5325589Chlorotitanium(3+)

생성물 1

HCID 57897298tert-Butyl 4-((1-methyl-1H-imidazol-4-yl)methyl)piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-23db7ae09a334ecd8a817c4160d2f3dd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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