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Potassium Cation → Ethyl 2-[4-(2-bromo-5-chlorobenzyloxy)phenyl]-1-cyclohexylbenzimidazole-5-carboxylate

HRID 169647
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HRID 169647 반응식
[Br:11][c:12]1[cH:13][cH:14][c:15]([Cl:16])[cH:17][c:18]1[CH3:19].[Br:1][c:2]1[c:3]([CH2:4][Br:5])[cH:6][c:7]([Cl:10])[cH:8][cH:9]1.[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[C:55](=[O:56])([O-:57])[O-:58].[C:66]([O:67][CH2:68][CH3:69])(=[O:70])[CH3:71].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:28]1([n:34]2[c:35](-[c:48]3[cH:49][cH:50][c:51]([OH:54])[cH:52][cH:53]3)[n:36][c:37]3[c:38]2[cH:39][cH:40][c:41]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:42]3)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[K+:59].[K+:60].[OH2:72]>>[Br:1][c:2]1[c:3]([CH2:4][O:54][c:51]2[cH:50][cH:49][c:48](-[c:35]3[n:34]([CH:28]4[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]4)[c:38]4[c:37]([n:36]3)[cH:42][c:41]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:40][cH:39]4)[cH:53][cH:52]2)[cH:6][c:7]([Cl:10])[cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 67184N-bromobutanimideHCID 844762-Bromo-5-chlorotoluene
HCID 11846505
2-Bromo-5-chlorobenzyl bromide
HCID 135486203Ethyl 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylate

생성물 1

HCID 10209977Ethyl 2-[4-(2-bromo-5-chlorobenzyloxy)phenyl]-1-cyclohexylbenzimidazole-5-carboxylate

출처 및 근거

ORD 기록
ord-c9ab8a3ab51f4bff84f3601e11ed373d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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