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Hydrochloric Acid → Hydrochloric Acid

HRID 304862
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HRID 304862 반응식
[C:30]([P:31](=[O:32])([O:33][CH2:34][CH3:35])[O:36][CH2:37][CH3:38])#[N:39].[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].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:10].[ClH:40].[ClH:9].[OH2:52].[s:1]1[cH:2][c:3]([C:6](=[O:7])[OH:8])[cH:4][cH:5]1>>[ClH:9].[s:1]1[cH:2][c:3]([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:4][cH:5]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 8

HCID 313Hydrochloric Acid3회HCID 962WaterHCID 3283Diethyl EtherHCID 6918Thiophene-3-carboxylic acidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 76257Diethyl cyanophosphonate
HCID 104095
1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine

생성물 2

HCID 313Hydrochloric AcidHCID 14849703Thiophen-3-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

출처 및 근거

ORD 기록
ord-20a8477adda44a8a8303c7b1380c4582
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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