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3-Methylbenzoic acid → N-({1-[4-Hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-methyl-benzamide

HRID 119857
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인쇄 미리보기

반응식

HRID 119857 반응식
[CH3:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:32]([OH:33])=[O:34])[cH:31]1.[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[NH2:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][C:13]([c:16]3[cH:17][n:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)([OH:24])[CH2:14][CH2:15]2)[CH2:9]1>>[NH:1]([CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][C:13]([c:16]3[cH:17][n:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)([OH:24])[CH2:14][CH2:15]2)[CH2:9]1)[C:32]([c:30]1[cH:29][cH:28][cH:27][c:26]([CH3:25])[cH:31]1)=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 74183-Methylbenzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 593615572-amino-N-{1-[4-hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-yl}-acetamide

생성물 1

HCID 46241943N-({1-[4-Hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-methyl-benzamide

출처 및 근거

ORD 기록
ord-64a5b7d17a0542aea435f0c5f098c86d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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