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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethylformamide → 4-[4-[(7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide

HRID 687290
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반응식

HRID 687290 반응식
[CH3:31][CH:32]([CH3:33])[NH2:34].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30]2.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[O:1]=[C:2]1[CH:3]2[N:4]([c:5]3[c:6]([cH:8][c:9]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([c:19]5[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:34][CH:32]([CH3:31])[CH3:33])[cH:26][cH:27]5)[CH2:17][CH2:18]4)[cH:10][n:11]3)[NH:7]1)[CH2:28][CH2:29][CH2:30]2
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반응물 4

HCID 6228DimethylformamideHCID 6363IsopropylamineHCID 81531DiisopropylethylamineHCID 667752304-[4-[(7-Oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]benzoic acid

생성물 1

HCID 767605234-[4-[(7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide

출처 및 근거

ORD 기록
ord-d8107b6af7c14851866759d53ede155c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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