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Hydrochloric Acid → Hydrochloric Acid

HRID 1126239
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인쇄 미리보기

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HRID 1126239 반응식
[CH3:52][S:53]([CH3:54])=[O:55].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:2][c:3]1[n:4][c:5](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2.[ClH:1].[ClH:29].[ClH:30].[NH2:31][CH2:32][CH2:33][NH:34][c:35]1[n:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]1>>[ClH:2].[c:3]1([NH:31][CH2:32][CH2:33][NH:34][c:35]2[n:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]2)[n:4][c:5](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 313Hydrochloric Acid3회HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 113694056-[(2-Aminoethyl)amino]pyridine-3-carbonitrileHCID 583060115-Chloro-7-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine

생성물 2

HCID 313Hydrochloric Acid
HCID 444806246-[2-[[7-(2-Chloro-4-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile

출처 및 근거

ORD 기록
ord-714f7206afa24af893d056038efc97cb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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