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Sodium Ion → 4-[[(N-(2-amino-5-chlorobenzoyl)glycyl)amino]methyl]-1-(tert-butoxycarbonyl)piperidine

HRID 214119
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인쇄 미리보기

반응식

HRID 214119 반응식
[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[Cl:61][CH2:62][Cl:63].[NH2:1][CH2:2][C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1.[NH2:27][c:28]1[c:29]([C:30](=[O:31])[OH:32])[cH:33][c:34]([Cl:37])[cH:35][cH:36]1.[Na+:60].[OH-:59].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[NH:1]([CH2:2][C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1)[C:30]([c:29]1[c:28]([NH2:27])[cH:36][cH:35][c:34]([Cl:37])[cH:33]1)=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 961HydroxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 124762-Amino-5-chlorobenzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-Hydroxybenzotriazole
HCID 11701760
tert-Butyl 4-((2-aminoacetamido)methyl)piperidine-1-carboxylate

생성물 1

HCID 184261834-[[(N-(2-amino-5-chlorobenzoyl)glycyl)amino]methyl]-1-(tert-butoxycarbonyl)piperidine

출처 및 근거

ORD 기록
ord-33354e2b2703447886ab3a42d2a8749e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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