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Bromide ion → 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]methyl]-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutanamide

HRID 1122551
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HRID 1122551 반응식
[Br-:1].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[F:22][c:23]1[cH:24][cH:25][c:26]([CH2:29][n:30]2[c:31]([CH2:39][CH:40]3[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]3)[n:32][c:33]3[c:34]2[cH:35][cH:36][cH:37][cH:38]3)[cH:27][cH:28]1.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:57].[c:2]1([C:8]2([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[C:9](=[N+:13]([CH3:14])[CH3:15])[O:10][CH2:11][CH2:12]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:8]([C:9](=[O:10])[N:13]([CH3:14])[CH3:15])([CH2:12][CH2:11][N:43]2[CH2:42][CH2:41][CH:40]([CH2:39][c:31]3[n:30]([CH2:29][c:26]4[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]4)[c:34]4[c:33]([n:32]3)[cH:38][cH:37][cH:36][cH:35]4)[CH2:45][CH2:44]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 259Bromide ionHCID 923Sodium Ion2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2723590Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) ammoniumHCID 140128661-[(4-fluorophenyl)methyl]-2-(4-piperidinylmethyl)-1H-benzimidazole

생성물 1

HCID 145180254-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]methyl]-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutanamide

출처 및 근거

ORD 기록
ord-b1efdf8294084c36bb442b92546bdbf1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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