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Potassium Cation → 2-[6-[1-(4-Methyl-2-propylbenzimidazol-1-yl)ethyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]acetonitrile

HRID 1131742
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HRID 1131742 반응식
[B:22]([Br:23])([Br:24])[Br:25].[C:39](=[O:40])([O-:41])[O-:42].[CH2:26]([CH2:27][CH3:28])[c:29]1[nH:30][c:31]2[c:32]([n:33]1)[cH:34][cH:35][cH:36][c:37]2[CH3:38].[Cl:45][CH2:46][Cl:47].[K+:43].[K+:44].[OH2:48].[OH:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]2[c:7]([cH:20][cH:21]1)[C:8](=[CH:17][C:18]#[N:19])[c:9]1[c:10]([cH:13][cH:14][cH:15][cH:16]1)[CH2:11][CH2:12]2>>[CH:2]([CH3:3])([c:4]1[cH:5][c:6]2[c:7]([cH:20][cH:21]1)[C:8](=[CH:17][C:18]#[N:19])[c:9]1[c:10]([cH:13][cH:14][cH:15][cH:16]1)[CH2:11][CH2:12]2)[n:33]1[c:29]([CH2:26][CH2:27][CH3:28])[n:30][c:31]2[c:32]1[cH:34][cH:35][cH:36][c:37]2[CH3:38]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 25134Boron tribromideHCID 219956454-Methyl-2-propyl-1H-benzimidazoleHCID 672104672-[6-(1-Hydroxyethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]acetonitrile

생성물 1

HCID 672107782-[6-[1-(4-Methyl-2-propylbenzimidazol-1-yl)ethyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]acetonitrile

출처 및 근거

ORD 기록
ord-11ab6e0a0533449c87c2d7cec2fb1388
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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