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Acetone → Methyl 2-[{[4-(2-butynyloxy)phenyl]sulfonyl}(methyl)amino]-2-{4-[2-(4-morpholinyl)ethoxy]phenyl}acetate

HRID 126445
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HRID 126445 반응식
[C:29](=[O:30])([O-:31])[O-:32].[CH2:1]([C:2]#[C:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]([CH3:16])[CH:17]([C:18](=[O:19])[O:20][CH3:21])[c:22]2[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]2)[cH:10][cH:11]1.[CH3:47][C:48](=[O:49])[CH3:50].[Cl:36][CH2:37][CH2:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[ClH:35].[I-:46].[K+:33].[K+:34].[Na+:45].[OH2:51]>>[CH2:1]([C:2]#[C:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]([CH3:16])[CH:17]([C:18](=[O:19])[O:20][CH3:21])[c:22]2[cH:23][cH:24][c:25]([O:28][CH2:37][CH2:38][N:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[cH:26][cH:27]2)[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 19660Carbonate IonHCID 30165Iodide IonHCID 767274-(2-Chloroethyl)morpholine
HCID 86587121Methyl [{[4-(2-butynyloxy)phenyl]sulfonyl}(methyl)amino](4-hydroxyphenyl)acetate

생성물 1

HCID 22644774Methyl 2-[{[4-(2-butynyloxy)phenyl]sulfonyl}(methyl)amino]-2-{4-[2-(4-morpholinyl)ethoxy]phenyl}acetate

출처 및 근거

ORD 기록
ord-4c70ac6fb87a4fcc8d473411f26f7203
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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