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Ammonium → 1-{3-{Bis[4-(methoxymethoxy)phenyl]methyl}-1-(2-dimethylaminoethyl)indol-2-ylcarbonyl}-4-(2-chlorophenyl)-piperazine

HRID 1147193
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HRID 1147193 반응식
[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[c:13]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([c:29]4[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]4)[CH2:27][CH2:28]3)[nH:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]23)[c:36]2[cH:37][cH:38][c:39]([O:42][CH2:43][O:44][CH3:45])[cH:40][cH:41]2)[cH:9][cH:10]1.[CH3:49][N:50]([CH2:51][CH2:52][Cl:53])[CH3:54].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl-:55].[ClH:48].[H-:46].[NH4+:56].[Na+:47].[OH2:62]>>[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[c:13]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][N:26]([c:29]4[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]4)[CH2:27][CH2:28]3)[n:14]([CH2:52][CH2:51][N:50]([CH3:49])[CH3:54])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]23)[c:36]2[cH:37][cH:38][c:39]([O:42][CH2:43][O:44][CH3:45])[cH:40][cH:41]2)[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 79012-Chloro-N,N-dimethylethylamineHCID 166653Hydride
HCID 15858901
1-{3-{Bis[4-(methoxymethoxy)phenyl]methyl}indol-2-ylcarbonyl}-4-(2-chlorophenyl)piperazine

생성물 1

HCID 701465951-{3-{Bis[4-(methoxymethoxy)phenyl]methyl}-1-(2-dimethylaminoethyl)indol-2-ylcarbonyl}-4-(2-chlorophenyl)-piperazine

출처 및 근거

ORD 기록
ord-321b29c38a2344069ee011cbd3b32ab2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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