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Dichloromethane → Tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate

HRID 105670
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인쇄 미리보기

반응식

HRID 105670 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:15](=[O:16])[OH:17])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[CH2:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[NH2:26].[CH2:69]([Cl:70])[Cl:71].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][P+:45]([N:46]2[CH2:47][CH2:48][CH2:49][CH2:50]2)([N:51]2[CH2:52][CH2:53][CH2:54][CH2:55]2)[N:56]2[CH2:57][CH2:58][CH2:59][CH2:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:15](=[O:17])[NH:26][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6344DichloromethaneHCID 8143OctylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 32920841-[(Tert-butoxy)carbonyl]azepane-2-carboxylic acid

생성물 1

HCID 21019257
Tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate

출처 및 근거

ORD 기록
ord-817cc945933e4bc0951b91ec433675a3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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