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Ethyl Acetate → 4-(2-fluoro-4-{[1-(4-fluoro-phenylcarbamoyl)-cyclopropanecarbonyl]-amino}-phenoxy)-7-(2-trimethylsilanyl-ethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

HRID 2340433
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HRID 2340433 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][cH:11][n:12][c:13]2[O:14][c:15]2[c:16]([F:37])[cH:17][c:18]([NH:21][C:22](=[O:23])[C:24]3([C:27]([NH:28][c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)=[O:36])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[n:38]1[CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[F-:47]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][cH:11][n:12][c:13]2[O:14][c:15]2[c:16]([F:37])[cH:17][c:18]([NH:21][C:22](=[O:23])[C:24]3([C:27]([NH:28][c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)=[O:36])[CH2:25][CH2:26]3)[cH:19][cH:20]2)[n:38]1[CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46]
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반응물 4

HCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 589380244-(2-fluoro-4-{[1-(4-fluoro-phenylcarbamoyl)-cyclopropanecarbonyl]-amino}-phenoxy)-7-(2-trimethylsilanyl-ethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

생성물 1

HCID 58938028
4-(2-fluoro-4-{[1-(4-fluoro-phenylcarbamoyl)-cyclopropanecarbonyl]-amino}-phenoxy)-7-(2-trimethylsilanyl-ethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

출처 및 근거

ORD 기록
ord-3308e5b298384a39880d5d4e728f7546
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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