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Hydrochloric Acid → 10-({2'-[2-Amino-2-(hydroxyimino)ethyl]-1,1'-biphenyl-4-YL}carbonyl)-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

HRID 152648
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HRID 152648 반응식
[C:1](#[N:2])[CH2:3][c:4]1[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[N:18]3[CH2:19][c:20]4[n:21]([c:29]([C:32](=[O:33])[NH:34][CH2:35][c:36]5[cH:37][n:38][cH:39][cH:40][cH:41]5)[cH:30][cH:31]4)[CH2:22][c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15]2)[cH:6][cH:7][cH:8][cH:9]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][CH2:52][OH:53].[ClH:42].[K+:49].[K+:50].[NH2:43][OH:44].[OH2:54]>>[C:1]([NH2:2])([CH2:3][c:4]1[c:5](-[c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[N:18]3[CH2:19][c:20]4[n:21]([c:29]([C:32](=[O:33])[NH:34][CH2:35][c:36]5[cH:37][n:38][cH:39][cH:40][cH:41]5)[cH:30][cH:31]4)[CH2:22][c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[cH:14][cH:15]2)[cH:6][cH:7][cH:8][cH:9]1)=[N:43][OH:44]
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반응물 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 1595170510-{[2'-(Cyanomethyl)-1,1'-biphenyl-4-yl]carbonyl}-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

생성물 1

HCID 7300557910-({2'-[2-Amino-2-(hydroxyimino)ethyl]-1,1'-biphenyl-4-YL}carbonyl)-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

출처 및 근거

ORD 기록
ord-3c829f1b40ad4caea7af477e1962c3c9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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