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Bromide ion → 3,5-Dimethoxy-4-methyl-N-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)-2-phenylamino-benzyl]-benzamide

HRID 95586
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HRID 95586 반응식
[Br-:39].[Br:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][N+:56]([CH3:57])([CH3:58])[CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[K+:37].[NH2:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([c:7]2[cH:8][c:9]([O:16][CH3:17])[c:10]([CH3:15])[c:11]([O:13][CH3:14])[cH:12]2)=[O:18])[cH:19][cH:20][c:21](-[c:23]2[n:24][o:25][c:26]([CH3:28])[n:27]2)[cH:22]1.[OH-:36].[OH2:38]>>[NH:1]([c:2]1[c:3]([CH2:4][NH:5][C:6]([c:7]2[cH:8][c:9]([O:16][CH3:17])[c:10]([CH3:15])[c:11]([O:13][CH3:14])[cH:12]2)=[O:18])[cH:19][cH:20][c:21](-[c:23]2[n:24][o:25][c:26]([CH3:28])[n:27]2)[cH:22]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1
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9

반응물 8

HCID 259Bromide ionHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 2681CetyltrimethylammoniumHCID 7961Bromobenzene
HCID 69491883
N-[2-Amino-4-(5-methyl-[1,2,4]oxadiazol-3-yl)-benzyl]-3,5-dimethoxy-4-methyl-benzamide

생성물 1

HCID 694915483,5-Dimethoxy-4-methyl-N-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)-2-phenylamino-benzyl]-benzamide

출처 및 근거

ORD 기록
ord-7efe43af54e74545ac99630046766127
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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