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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Diethyl Ether → di-tert-butyl 7-[({[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-6,8-dioxo-2,5,9,12-tetraazatridecanedioate

HRID 1138327
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HRID 1138327 반응식
[CH2:65]([N:66]([CH:67]([CH3:68])[CH3:69])[CH:70]([CH3:71])[CH3:72])[CH3:73].[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([O:29][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:30])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:74][CH2:75][O:76][CH2:77][CH3:78].[CH:79]([Cl:80])([Cl:81])[Cl:82].[NH2:37][CH:38]([C:39]([NH:40][CH2:41][CH2:42][NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[C:52]([NH:53][CH2:54][CH2:55][NH:56][C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[NH:37][CH:38]([C:39]([NH:40][CH2:41][CH2:42][NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[C:52]([NH:53][CH2:54][CH2:55][NH:56][C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 3283Diethyl EtherHCID 6212ChloroformHCID 81531DiisopropylethylamineHCID 18442407Di-tert-butyl 7-amino-6,8-dioxo-2,5,9,12-tetraazatridecanedioateHCID 21904567Phenyl [1-methyl-5-(tritylamino)pyrazol-4-yl]carbamate

생성물 1

HCID 18442406
di-tert-butyl 7-[({[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-6,8-dioxo-2,5,9,12-tetraazatridecanedioate

출처 및 근거

ORD 기록
ord-8fc1e29978d740f983978c6d6076a034
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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