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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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4-(2,3-Difluoro-phenyl)-1,3-dihydro-indol-2-one → 2-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-morpholin-4-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

HRID 1539476
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반응식

HRID 1539476 반응식
[CH3:1][c:2]1[c:3]([CH:21]=[O:22])[nH:4][c:5]2[c:6]1[C:7](=[O:20])[N:8]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[CH2:9][CH2:10][CH2:11]2.[F:23][c:24]1[c:25](-[c:31]2[c:32]3[c:36]([cH:37][cH:38][cH:39]2)[NH:35][C:34](=[O:40])[CH2:33]3)[cH:26][cH:27][cH:28][c:29]1[F:30]>>[CH3:1][c:2]1[c:3]([CH:21]=[C:33]2[c:32]3[c:31](-[c:25]4[c:24]([F:23])[c:29]([F:30])[cH:28][cH:27][cH:26]4)[cH:39][cH:38][cH:37][c:36]3[NH:35][C:34]2=[O:40])[nH:4][c:5]2[c:6]1[C:7](=[O:20])[N:8]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[CH2:9][CH2:10][CH2:11]2
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반응물 2

HCID 225619714-(2,3-Difluoro-phenyl)-1,3-dihydro-indol-2-oneHCID 592500683-Methyl-5-(2-morpholin-4-yl-ethyl)-4-oxo-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde

생성물 1

HCID 685229802-[4-(2,3-difluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-5-(2-morpholin-4-yl-ethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

출처 및 근거

ORD 기록
ord-91d05ad6e27b4299b5227a4c152c9872
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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