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Dimethylformamide → Diethyl (3-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)ureido)methylphosphonate

HRID 1539162
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HRID 1539162 반응식
[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[c:14]1[cH:15][cH:16][c:17]([NH:20][C:21]([O:22][c:23]2[cH:24][cH:25][c:26]([N+:27]([O-:28])=[O:29])[cH:30][cH:31]2)=[O:32])[cH:18][cH:19]1.[NH2:33][CH2:34][P:35]([O:36][CH2:37][CH3:38])([O:39][CH2:40][CH3:41])=[O:42]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[c:14]1[cH:15][cH:16][c:17]([NH:20][C:21](=[O:32])[NH:33][CH2:34][P:35]([O:36][CH2:37][CH3:38])([O:39][CH2:40][CH3:41])=[O:42])[cH:18][cH:19]1
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반응물 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 1596920Diethyl (aminomethyl)phosphonateHCID 674588354-Nitrophenyl 4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylcarbamate

생성물 1

HCID 86672337Diethyl (3-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)ureido)methylphosphonate

출처 및 근거

ORD 기록
ord-1fd87ea2657d49158c65d275acd190e5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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