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1,2-Dichloroethane → N-methyl-N-[(1-methylindol-7-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

HRID 214807
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HRID 214807 반응식
[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:16][N:17]1[CH2:18][C:19](=[O:33])[NH:20][c:21]2[c:22]([cH:24][c:25]([CH:28]=[CH:29][C:30](=[O:31])[OH:32])[cH:26][n:27]2)[CH2:23]1.[CH3:1][NH:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][n:11]([CH3:13])[c:12]12.[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[ClH:14].[ClH:15].[ClH:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[CH3:1][N:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][n:11]([CH3:13])[c:12]12)[C:30]([CH:29]=[CH:28][c:25]1[cH:24][c:22]2[c:21]([n:27][cH:26]1)[NH:20][C:19](=[O:33])[CH2:18][N:17]([CH3:16])[CH2:23]2)=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid3회HCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 33589520N-Methyl-1-(1-methyl-1H-indol-7-yl)methanamine
HCID 66966201
3-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acid

생성물 1

HCID 66966539N-methyl-N-[(1-methylindol-7-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

출처 및 근거

ORD 기록
ord-26ff50ea3735483593bf6e4b91b94343
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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