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Ammonium → N-(4-fluorobenzyl)-4-methyl-2-(2-oxo-3-(4-(trifluoromethyl)benzyl)pyrrolidin-1-yl)thiazole-5-carboxamide

HRID 201365
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HRID 201365 반응식
[Br:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]1.[CH3:24][Si:25]([N-:26][Si:27]([CH3:28])([CH3:29])[CH3:30])([CH3:31])[CH3:32].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[C:55]1=[O:56].[Cl-:46].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:21])[n:12][c:13]([N:15]3[C:16](=[O:20])[CH2:17][CH2:18][CH2:19]3)[s:14]2)[cH:22][cH:23]1.[Li+:33].[NH4+:47].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:21])[n:12][c:13]([N:15]3[C:16](=[O:20])[CH:17]([CH2:35][c:36]4[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]4)[CH2:18][CH2:19]3)[s:14]2)[cH:22][cH:23]1
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참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 3280088Npc316347
HCID 16954475
4-(3-ethylisoxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

생성물 1

HCID 24801505N-(4-fluorobenzyl)-4-methyl-2-(2-oxo-3-(4-(trifluoromethyl)benzyl)pyrrolidin-1-yl)thiazole-5-carboxamide

출처 및 근거

ORD 기록
ord-e0f26445aaae4ecaa67bf955efd3c11b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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