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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Bicarbonate Ion → 1-{[1-[1-(2-Hydroxy-indan-1-ylcarbamoyl)-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

HRID 289772
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HRID 289772 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[NH:15][CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Cl:43][C:44](=[O:45])[Cl:46].[NH2:47][CH:48]([C:49](=[O:50])[NH:51][CH:52]1[CH:53]([OH:61])[CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]21)[C:62]([CH3:63])([CH3:64])[CH3:65].[Na+:42].[O-:38][C:39](=[O:40])[OH:41]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[N:15]([C:39](=[O:41])[NH:47][CH:48]([C:49](=[O:50])[NH:51][CH:52]3[CH:53]([OH:61])[CH2:54][c:55]4[cH:56][cH:57][cH:58][cH:59][c:60]43)[C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1140TolueneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 207653161-{[4-(7-Methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl esterHCID 68488353HCID 68488353, 화합물

생성물 1

HCID 684916281-{[1-[1-(2-Hydroxy-indan-1-ylcarbamoyl)-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-3f22ad45ea11470b85f7f7662db85523
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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