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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethylformamide → 4-[4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methyl-benzoylamino]-piperidine-1-carboxylic acid tert-butyl ester

HRID 1148928
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HRID 1148928 반응식
[CH3:49][N:50]([C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[N+:62]([O-:63])=[N:64]1)[CH3:65].[CH3:89][N:90]([CH3:91])[CH:92]=[O:93].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([CH3:31])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[NH2:75][CH:76]1[CH2:77][CH2:78][N:79]([C:82](=[O:83])[O:84][C:85]([CH3:86])([CH3:87])[CH3:88])[CH2:80][CH2:81]1.[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([CH3:31])[cH:24][c:25]([C:26](=[O:28])[NH:75][CH:76]5[CH2:77][CH2:78][N:79]([C:82](=[O:83])[O:84][C:85]([CH3:86])([CH3:87])[CH3:88])[CH2:80][CH2:81]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 12682914-Amino-1-Boc-piperidineHCID 580150324-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methyl-benzoic acid
HCID 178484288
HCID 178484288, 화합물

생성물 1

HCID 580150614-[4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methyl-benzoylamino]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-85027dbdfa4f468c899518d07b508908
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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