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Dichloromethane → Methyl-phenyl-carbamic Acid 4-[2-(4-dimethylamino-benzenesulfonylamino)-ethyl]-phenyl Ester

HRID 1230410
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HRID 1230410 반응식
[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])[O-:11])[cH:7][cH:8]1)[CH3:12].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:17][N:18]1[C:19](=[O:20])[CH2:21][CH2:22][C:23]1=[O:24].[Cl:61][CH2:62][Cl:63].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[Li:13].[NH2:25][CH2:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([O:34][C:35]([N:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH3:43])=[O:44])[cH:32][cH:33]1.[SH:14](=[O:15])[O-:16]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:25][CH2:26][CH2:27][c:28]2[cH:29][cH:30][c:31]([O:34][C:35]([N:36]([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH3:43])=[O:44])[cH:32][cH:33]2)[cH:7][cH:8]1)[CH3:12]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 31398ChlorosuccinimideHCID 81531DiisopropylethylamineHCID 3028194LithiumHCID 6400157Oxido(oxo)-lambda4-sulfaneHCID 205103964-Dimethylamino-benzenesulfinate
HCID 69520583
Methyl-phenyl-carbamic acid 4-(2-amino-ethyl)phenyl Ester

생성물 1

HCID 69518317Methyl-phenyl-carbamic Acid 4-[2-(4-dimethylamino-benzenesulfonylamino)-ethyl]-phenyl Ester

출처 및 근거

ORD 기록
ord-8350e78be2a54a56800c42221448c0f5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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