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Hydrochloric Acid → Hydrochloric Acid

HRID 90127
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HRID 90127 반응식
[C:30]([P:31](=[O:32])([O:33][CH2:34][CH3:35])[O:36][CH2:37][CH3:38])#[N:39].[C:46]([O:47][CH2:48][CH3:49])(=[O:50])[CH3:51].[CH2:41]([O:42][CH2:43][CH3:44])[CH3:45].[CH3:11][O:12][c:13]1[cH:14][c:15]([CH2:16][N:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[cH:23][c:24]([O:28][CH3:29])[c:25]1[O:26][CH3:27].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[ClH:10].[ClH:40].[ClH:9].[OH2:58].[s:1]1[c:2]([C:6](=[O:7])[OH:8])[cH:3][cH:4][cH:5]1>>[ClH:9].[s:1]1[c:2]([C:6](=[O:8])[N:20]2[CH2:19][CH2:18][N:17]([CH2:16][c:15]3[cH:14][c:13]([O:12][CH3:11])[c:25]([O:26][CH3:27])[c:24]([O:28][CH3:29])[cH:23]3)[CH2:22][CH2:21]2)[cH:3][cH:4][cH:5]1
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11

반응물 9

HCID 313Hydrochloric Acid3회HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl Acetate2회HCID 107002-Thiophenecarboxylic acid
HCID 76257
Diethyl cyanophosphonate
HCID 1040951-[(3,4,5-Trimethoxyphenyl)methyl]piperazine

생성물 2

HCID 313Hydrochloric AcidHCID 1131689Thiophen-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

출처 및 근거

ORD 기록
ord-49108f9d62704e48b931e9e76bf1d519
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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