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Hydrochloric Acid → CID 22633072

HRID 1218135
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HRID 1218135 반응식
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[NH:25][CH:26]([C:27](=[O:28])[OH:29])[CH2:30][c:31]1[n:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[ClH:37].[ClH:38].[NH2:39][CH2:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][N:46]([c:49]2[cH:50][cH:51][c:52]([Cl:55])[cH:53][cH:54]2)[CH2:47][CH2:48]1.[Na+:70].[OH:71][C:72](=[O:73])[O-:74].[c:1]1([P:2]([N:3]=[N+:4]=[N-:5])([c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)=[O:12])[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[NH:25][CH:26]([C:27](=[O:29])[NH:39][CH2:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][N:46]([c:49]2[cH:50][cH:51][c:52]([Cl:55])[cH:53][cH:54]2)[CH2:47][CH2:48]1)[CH2:30][c:31]1[n:32][cH:33][cH:34][cH:35][cH:36]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 199401P,P-Diphenylphosphinic azideHCID 45463422-tert-Butoxycarbonylamino-3-pyridin-2-yl-propionic acid
HCID 22633065
2-Amino-1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one

생성물 1

HCID 178453268CID 22633072

출처 및 근거

ORD 기록
ord-09313c6cd2a94616a5012203ce470c15
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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