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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dichloromethane → 4-{3-[7-Chloro-4-oxo-8-(2,2,2-trifluoro-ethoxy)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-phenyl]-pyridine-2-carbonitrile

HRID 291369
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인쇄 미리보기

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HRID 291369 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:21][C:22]([CH2:23][C:24](=[O:5])[c:26]2[cH:27][c:28](-[c:32]3[cH:33][c:34]([C:38]#[N:39])[n:35][cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)=[O:40])[cH:10][c:11]([Cl:20])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)([CH3:6])([CH3:25])[CH3:41].[Cl:49][CH2:50][Cl:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[N:7]1=[C:24]([c:26]2[cH:27][c:28](-[c:32]3[cH:33][c:34]([C:38]#[N:39])[n:35][cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:40])[NH:21][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[c:11]([Cl:20])[cH:10]2
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참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589367[4-Chloro-2-{3-[3-(2-cyano-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-5-(2,2,2-trifluoro-ethoxy)-phenyl]-carbamic acid tert-butyl ester

생성물 1

HCID 223176014-{3-[7-Chloro-4-oxo-8-(2,2,2-trifluoro-ethoxy)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-phenyl]-pyridine-2-carbonitrile

출처 및 근거

ORD 기록
ord-2a854e34dc504c2e924b2b9c70e99655
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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