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Acetone → 5-amino-N-tert-butyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]quinazoline-6-carboxamide

HRID 124899
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반응식

HRID 124899 반응식
[CH3:43][C:44](=[O:45])[CH3:46].[Cl:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[ClH:7].[K+:1].[K+:2].[NH2:16][c:17]1[c:18]2[c:19](-[c:36]3[cH:37][c:38]([OH:42])[cH:39][cH:40][cH:41]3)[n:20][c:21]([S:34][CH3:35])[n:22][c:23]2[cH:24][cH:25][c:26]1[C:27](=[O:28])[NH:29][C:30]([CH3:31])([CH3:32])[CH3:33].[O-:3][C:4]([O-:5])=[O:6]>>[CH2:9]([CH2:10][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1)[O:42][c:38]1[cH:37][c:36](-[c:19]2[c:18]3[c:17]([NH2:16])[c:26]([C:27](=[O:28])[NH:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:25][cH:24][c:23]3[n:22][c:21]([S:34][CH3:35])[n:20]2)[cH:41][cH:40][cH:39]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 816691-(2-Chloroethyl)pyrrolidineHCID 690408125-amino-N-tert-butyl-4-(3-hydroxyphenyl)-2-methylsulfanylquinazoline-6-carboxamide

생성물 1

HCID 91378637
5-amino-N-tert-butyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]quinazoline-6-carboxamide

출처 및 근거

ORD 기록
ord-5f616c3f54bf467b8c1f8bdc3ea1acfe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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