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1,2-Dichloroethane → 3-(6-amino-3-pyridinyl)-N-[(1-benzylindol-3-yl)methyl]-N-methylprop-2-enamide

HRID 1230708
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HRID 1230708 반응식
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[n:24]1[cH:25][c:26]([CH2:33][NH:34][CH3:35])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12.[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[NH2:5][c:6]1[cH:7][cH:8][c:9]([CH:12]=[CH:13][C:14](=[O:15])[OH:16])[cH:10][n:11]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:46].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[NH2:5][c:6]1[cH:7][cH:8][c:9]([CH:12]=[CH:13][C:14](=[O:16])[N:34]([CH2:33][c:26]2[cH:25][n:24]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:32]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[CH3:35])[cH:10][n:11]1
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HCID 111,2-DichloroethaneHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 122838761-benzyl-3-(methylaminomethyl)-1H-indoleHCID 534008323-(6-Aminopyridin-3-yl)prop-2-enoic acid

생성물

1
HCID 667806343-(6-amino-3-pyridinyl)-N-[(1-benzylindol-3-yl)methyl]-N-methylprop-2-enamide

출처 및 근거

ORD 기록
ord-832b8d313424485e9c5bc1c0e3856582
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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