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Chloride → N2-(2-chloro-4-(dimethylcarbamoyl)phenyl)-N8-ethyl-N2-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

HRID 296868
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HRID 296868 반응식
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:35][CH2:36][NH2:37].[Cl-:34].[Cl:1][c:2]1[c:3]([N:13]([C:14](=[O:15])[c:16]2[cH:17][c:18]3[c:19]([s:32]2)-[c:20]2[c:21]([cH:25][c:26]([C:29](=[O:30])[OH:31])[cH:27][cH:28]2)[O:22][CH2:23][CH2:24]3)[CH3:33])[cH:4][cH:5][c:6]([C:8]([N:9]([CH3:10])[CH3:11])=[O:12])[cH:7]1.[S:44]([Cl:45])([Cl:46])=[O:47].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[Cl:1][c:2]1[c:3]([N:13]([C:14](=[O:15])[c:16]2[cH:17][c:18]3[c:19]([s:32]2)-[c:20]2[c:21]([cH:25][c:26]([C:29](=[O:30])[NH:37][CH2:36][CH3:35])[cH:27][cH:28]2)[O:22][CH2:23][CH2:24]3)[CH3:33])[cH:4][cH:5][c:6]([C:8]([N:9]([CH3:10])[CH3:11])=[O:12])[cH:7]1
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반응물 6

HCID 312ChlorideHCID 1049PyridineHCID 6341EthylamineHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 568342692-((2-Chloro-4-(dimethylcarbamoyl)phenyl)(methyl) carbamoyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid

생성물 1

HCID 57900236
N2-(2-chloro-4-(dimethylcarbamoyl)phenyl)-N8-ethyl-N2-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

출처 및 근거

ORD 기록
ord-b970f6151c2249898631d7cf48f6f23d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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