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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-8-amino-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate → Isopropyl 5-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-9-amino-7-methyl-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylate

HRID 1128825
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인쇄 미리보기

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HRID 1128825 반응식
[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([c:18]([Br:23])[cH:19][c:20]([CH3:22])[cH:21]2)[N:8]([C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1)[CH2:24][c:25]1[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1.[C:39]([N:42]([CH2:40][c:41]1[cH:43][c:44]([C:45]([F:46])([F:47])[F:48])[cH:49][c:50]([C:51]([F:52])([F:53])[F:54])[cH:55]1)[CH:56]1[CH2:57][CH2:58][CH2:59][N:60]([C:61]([O:62][CH:63]([CH3:64])[CH3:65])=[O:66])[c:67]2[cH:68][c:69]([NH2:70])[cH:71][cH:72][c:73]21)(=[O:74])[CH3:75]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([c:18]([NH2:42])[cH:19][c:20]([CH3:22])[cH:21]2)[N:8]([C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1)[CH2:24][c:25]1[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1
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참가 물질

3

반응물 2

HCID 59003104Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-8-amino-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylateHCID 59003145Isopropyl 5-[acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-9-bromo-7-methyl-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylate

생성물 1

HCID 59003228Isopropyl 5-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-9-amino-7-methyl-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylate

출처 및 근거

ORD 기록
ord-8dd92fc71dc1484fa436cb0ef8984c54
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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