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Chloride → 4-(4-ethylphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

HRID 1227036
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HRID 1227036 반응식
[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][cH:14]2)[cH:7][cH:8]1.[CH2:48]([Cl:49])[Cl:50].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl-:18].[NH2:19][CH:20]1[CH2:21][c:22]2[c:23]([N:30]3[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]3)[cH:24][cH:25][cH:26][c:27]2[CH2:28][CH2:29]1.[S:44]([Cl:45])([Cl:46])=[O:47]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([C:15](=[O:17])[NH:19][CH:20]3[CH2:21][c:22]4[c:23]([N:30]5[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]5)[cH:24][cH:25][cH:26][c:27]4[CH2:28][CH2:29]3)[cH:13][cH:14]2)[cH:7][cH:8]1
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반응물 6

HCID 312ChlorideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 5218014-(4-Ethylphenyl)benzoic acidHCID 186225218-(4-Methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

생성물 1

HCID 18475719
4-(4-ethylphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

출처 및 근거

ORD 기록
ord-00776bc722d246c098a7c520580f5325
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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