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Acetone → N-Methyl-N-(4-(4-(1-(2-(morpholin-4-yl)ethyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-(3,4-dichlorophenyl)butyl)-3,4,5-trimethoxybenzamide

HRID 173879
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인쇄 미리보기

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HRID 173879 반응식
[C:56](=[O:57])([O-:58])[O-:59].[CH3:1][N:2]([C:3]([c:4]1[cH:5][c:6]([O:14][CH3:15])[c:7]([O:12][CH3:13])[c:8]([O:10][CH3:11])[cH:9]1)=[O:16])[CH2:17][CH:18]([CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[c:29]2[n:30][c:31]3[c:32]([nH:33]2)[cH:34][cH:35][cH:36][cH:37]3)[CH2:25][CH2:26]1)[c:38]1[cH:39][c:40]([Cl:45])[c:41]([Cl:44])[cH:42][cH:43]1.[CH3:65][C:66](=[O:67])[CH3:68].[Cl:47][CH2:48][CH2:49][N:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[Cl:62][CH2:63][Cl:64].[ClH:46].[K+:60].[K+:61].[OH2:69]>>[CH3:1][N:2]([C:3]([c:4]1[cH:5][c:6]([O:14][CH3:15])[c:7]([O:12][CH3:13])[c:8]([O:10][CH3:11])[cH:9]1)=[O:16])[CH2:17][CH:18]([CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[c:29]2[n:30]([CH2:48][CH2:49][N:50]3[CH2:51][CH2:52][O:53][CH2:54][CH2:55]3)[c:31]3[c:32]([n:33]2)[cH:34][cH:35][cH:36][cH:37]3)[CH2:25][CH2:26]1)[c:38]1[cH:39][c:40]([Cl:45])[c:41]([Cl:44])[cH:42][cH:43]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 767274-(2-Chloroethyl)morpholine
HCID 10189798
N-Methyl-N-(4-(4-(1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-(3,4-dichlorophenyl)butyl)-3,4,5-trimethoxybenzamide

생성물 1

HCID 10123236N-Methyl-N-(4-(4-(1-(2-(morpholin-4-yl)ethyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-(3,4-dichlorophenyl)butyl)-3,4,5-trimethoxybenzamide

출처 및 근거

ORD 기록
ord-1ea25f50eb174144bd6467c1586d31f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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