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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Methanol → 3-(2,3-dihydroxypropylamino)-3-methyl-N-[1-[[4-[2-[(methylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

HRID 684992
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인쇄 미리보기

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HRID 684992 반응식
[CH3:1][C:2]1([CH3:47])[O:3][CH2:4][CH:5]([CH2:7][NH:8][C:9]([CH2:10][C:11](=[O:12])[NH:13][CH:14]2[C:15](=[O:44])[N:16]([CH2:25][c:26]3[cH:27][cH:28][c:29](-[c:32]4[c:33]([CH2:38][NH:39][C:40](=[O:41])[NH:42][CH3:43])[cH:34][cH:35][cH:36][cH:37]4)[cH:30][cH:31]3)[c:17]3[c:18]([cH:21][cH:22][cH:23][cH:24]3)[CH2:19][CH2:20]2)([CH3:45])[CH3:46])[O:6]1.[CH3:55][OH:56].[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[OH:3][CH2:4][CH:5]([OH:6])[CH2:7][NH:8][C:9]([CH2:10][C:11](=[O:12])[NH:13][CH:14]1[C:15](=[O:44])[N:16]([CH2:25][c:26]2[cH:27][cH:28][c:29](-[c:32]3[c:33]([CH2:38][NH:39][C:40](=[O:41])[NH:42][CH3:43])[cH:34][cH:35][cH:36][cH:37]3)[cH:30][cH:31]2)[c:17]2[c:18]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19][CH2:20]1)([CH3:45])[CH3:46]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 887MethanolHCID 6422Trifluoroacetic acidHCID 178485848HCID 178485848, 화합물

생성물 1

HCID 1784858493-(2,3-dihydroxypropylamino)-3-methyl-N-[1-[[4-[2-[(methylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

출처 및 근거

ORD 기록
ord-b7678536a87d4daf8577545c4cd0b2c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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