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Potassium Cation → 1-(4-fluorophenyl)-4-(7-thia-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-14-yl)butan-1-one

HRID 106135
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HRID 106135 반응식
[CH2:1]1[CH2:2][S:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][c:9]3[c:13]2[N:12]1[CH:11]1[CH:10]3[CH2:17][NH:16][CH2:15][CH2:14]1.[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[Cl:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[OH2:37]>>[CH2:1]1[CH2:2][S:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][c:9]3[c:13]2[N:12]1[CH:11]1[CH:10]3[CH2:17][N:16]([CH2:19][CH2:20][CH2:21][C:22](=[O:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH2:15][CH2:14]1
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반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 197503-(4-Fluorobenzoyl)propyl chlorideHCID 312751,4-DioxaneHCID 9899645HCID 9899645, 화합물

생성물 1

HCID 178520649
1-(4-fluorophenyl)-4-(7-thia-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-14-yl)butan-1-one

출처 및 근거

ORD 기록
ord-1e61baad2f5d4e33a0de8bad587ad967
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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