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Sodium Ion → 4-oxo-3-[phenylmethoxycarbonyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

HRID 2329903
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HRID 2329903 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][c:12]1[cH:13][n:14][c:15]2[n:16]([c:17]1=[O:18])[CH:19]([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]2.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[F:25][C:26]([c:27]1[cH:28][c:29]([CH2:30][Br:31])[cH:32][cH:33][cH:34]1)([F:35])[F:36].[H-:38].[I-:44].[Na+:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([c:12]1[cH:13][n:14][c:15]2[n:16]([c:17]1=[O:18])[CH:19]([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]2)[CH2:30][c:29]1[cH:28][c:27]([C:26]([F:25])([F:35])[F:36])[cH:34][cH:33][cH:32]1
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참가 물질

8

반응물 7

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 1230611-(Bromomethyl)-3-(trifluoromethyl)benzeneHCID 166653HydrideHCID 219796114-oxo-3-(phenylmethoxycarbonylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

생성물 1

HCID 219797214-oxo-3-[phenylmethoxycarbonyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

출처 및 근거

ORD 기록
ord-9c5f37eefe3c43a795199eea1409410e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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