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Hydrochloric Acid → Hydrochloric Acid

HRID 1206587
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HRID 1206587 반응식
[C:40](=[O:41])([O-:42])[O-:43].[Cl:32][CH2:33][CH2:34][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[ClH:31].[K+:44].[K+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][S:13][c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][c:20]([CH3:26])[c:21]4[c:22](=[O:25])[n:23]3[CH3:24])[cH:27][cH:28]2)[cH:29][cH:30]1>>[ClH:32].[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][S:13][c:14]3[n:15][c:16]4[cH:17][cH:18][cH:19][c:20]([CH3:26])[c:21]4[c:22](=[O:25])[n:23]3[CH3:24])[cH:27][cH:28]2)[cH:29][cH:30]1)[CH2:33][CH2:34][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 816691-(2-Chloroethyl)pyrrolidineHCID 189188882-[4-(4-hydroxybenzoyl)benzylthio]-3,5-dimethyl-4(3H)-quinazolinone

생성물 2

HCID 313
Hydrochloric Acid
HCID 189193393,5-Dimethyl-2-[[4-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]phenyl]methylsulfanyl]quinazolin-4-one

출처 및 근거

ORD 기록
ord-526f29c39099452bb46bb82f041ba26d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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