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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetyl chloride → rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-acetylamino-2-methoxy-phenyl)-amide

HRID 2148533
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HRID 2148533 반응식
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]([Cl:50])=[O:51].[NH2:1][c:2]1[cH:3][c:4]([O:39][CH3:40])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH:12]([c:31]3[c:32]([F:38])[c:33]([Cl:37])[cH:34][cH:35][cH:36]3)[C:13]3([C:14](=[O:23])[NH:15][c:16]4[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]43)[CH:24]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:25]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([O:39][CH3:40])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH:12]([c:31]3[c:32]([F:38])[c:33]([Cl:37])[cH:34][cH:35][cH:36]3)[C:13]3([C:14](=[O:23])[NH:15][c:16]4[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]43)[CH:24]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:25]2)[cH:6][cH:7]1)[C:49]([CH3:48])=[O:51]
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참가 물질

5

반응물 4

HCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 75985813rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-amino-2-methoxy-phenyl)-amide

생성물 1

HCID 75985814
rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-acetylamino-2-methoxy-phenyl)-amide

출처 및 근거

ORD 기록
ord-ee246b03afde4420995122dc8797b150
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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