1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → 3,4,5-Trifluoro-N-({1-[4-hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-benzamide

HRID 120416

반응식

HRID 120416 반응식
[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[F:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][c:33]([F:36])[c:34]1[F:35].[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:29]([c:28]1[cH:27][c:26]([F:25])[c:34]([F:35])[c:33]([F:36])[cH:32]1)=[O:30]

참가 물질

4

반응물 3

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 8531543,4,5-Trifluorobenzoic acidHCID 593615572-amino-N-{1-[4-hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-yl}-acetamide

생성물 1

HCID 462419423,4,5-Trifluoro-N-({1-[4-hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-benzamide

출처 및 근거

ORD 기록
ord-4bbf6b8660dc415aae7a7c1639c8c47a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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