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1,2-Dichloroethane → N-[[1-(2-hydroxyethyl)indol-3-yl]methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

HRID 1222522
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HRID 1222522 반응식
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[ClH:5].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[O:6]=[C:7]1[CH2:8][CH2:9][c:10]2[cH:11][c:12]([CH:17]=[CH:18][C:19](=[O:20])[OH:21])[cH:13][n:14][c:15]2[NH:16]1.[OH2:47].[OH:22][CH2:23][CH2:24][n:25]1[cH:26][c:27]([CH2:34][NH:35][CH3:36])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[O:6]=[C:7]1[CH2:8][CH2:9][c:10]2[cH:11][c:12]([CH:17]=[CH:18][C:19](=[O:21])[N:35]([CH2:34][c:27]3[cH:26][n:25]([CH2:24][CH2:23][OH:22])[c:33]4[c:28]3[cH:29][cH:30][cH:31][cH:32]4)[CH3:36])[cH:13][n:14][c:15]2[NH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 221390051-(2-hydroxyethyl)-3-(methylaminomethyl)-1H-indole
HCID 66905303
(E)-3-(7-oxo-1,5,6,7-tetrahydro-1,8-naphthyridin-3-yl)acrylic acid

생성물 1

HCID 66780750N-[[1-(2-hydroxyethyl)indol-3-yl]methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

출처 및 근거

ORD 기록
ord-09fa5b715b3c44bf878bb1d62ddb8176
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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