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Dimethyl Sulfoxide → N-[(5-Methylisoxazol-3-yl)methyl]-10-[(2,2',6'-trimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

HRID 934216
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HRID 934216 반응식
[CH3:38][c:39]1[cH:40][c:41]([CH2:44][NH2:45])[n:42][o:43]1.[CH3:46][S:47]([CH3:48])=[O:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][C:58]#[N:59].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:35])[c:24](-[c:27]3[c:28]([CH3:34])[cH:29][cH:30][cH:31][c:32]3[CH3:33])[cH:25][cH:26]1)[CH2:9]2)([Cl:36])[Cl:37]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:35])[c:24](-[c:27]3[c:28]([CH3:34])[cH:29][cH:30][cH:31][c:32]3[CH3:33])[cH:25][cH:26]1)[CH2:9]2)[NH:45][CH2:44][c:41]1[cH:40][c:39]([CH3:38])[o:43][n:42]1
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참가 물질

6

반응물 5

HCID 679Dimethyl SulfoxideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 27763061-(5-Methyl-1,2-oxazol-3-yl)methanamineHCID 686871492,2,2-trichloro-1-{10-[(2,2',6'-trimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

생성물 1

HCID 11998031
N-[(5-Methylisoxazol-3-yl)methyl]-10-[(2,2',6'-trimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

출처 및 근거

ORD 기록
ord-75c56a865b9e43fda36a1e0a2284619b
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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