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Chloride → 10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid bis-(2-hydroxy-ethyl)-amide

HRID 693140
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HRID 693140 반응식
[C:28](=[O:29])([O-:30])[O-:31].[CH3:37][OH:38].[Cl-:36].[ClH:34].[K+:32].[K+:33].[Na+:35].[OH2:39].[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]2[n:16]1[CH2:15][c:14]1[c:13]([cH:20][cH:19][cH:18][cH:17]1)[N:12]([C:21]([O:22][CH3:23])=[O:24])[CH2:11]2)[CH2:25][CH2:26][OH:27]>>[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]2[n:16]1[CH2:15][c:14]1[c:13]([cH:20][cH:19][cH:18][cH:17]1)[NH:12][CH2:11]2)[CH2:25][CH2:26][OH:27]
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참가 물질

9

반응물 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 19660Carbonate IonHCID 6979627510-(Methoxycarbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid bis-(2-hydroxy-ethyl)-amide

출처 및 근거

ORD 기록
ord-21a9be36a3aa4f209bd7f66ddb219e52
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 6979595910,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid bis-(2-hydroxy-ethyl)-amide