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Dimethyl Sulfoxide → 10-[(4-Chlorophenoxy)acetyl]-N-[2-(4-hydroxyphenyl)ethyl]-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

HRID 2315654
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HRID 2315654 반응식
[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][C:47]#[N:48].[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]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)([Cl:30])[Cl:31].[NH2:32][CH2:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([OH:39])[cH:40][cH:41]1>>[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]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)[NH:32][CH2:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([OH:39])[cH:40][cH:41]1
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반응물 4

HCID 679Dimethyl SulfoxideHCID 5610TyramineHCID 6342AcetonitrileHCID 160392192,2,2-trichloro-1-{10-[(4-chlorophenoxy)acetyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

생성물 1

HCID 1603922010-[(4-Chlorophenoxy)acetyl]-N-[2-(4-hydroxyphenyl)ethyl]-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

출처 및 근거

ORD 기록
ord-cff86fed66fe4c6d856e56018909dbb5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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