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N,N-Dimethylglycine → 3-Chloro-N-((S)-1-(2-(dimethylamino)acetamido)-3-(4-(8-((S)-1-hydroxyethyl)-imidazo[1,2-a]pyridin-2-yl)phenyl)propan-2-yl)-4-isopropoxybenzamide

HRID 203277
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HRID 203277 반응식
[CH2:64]([Cl:65])[Cl:66].[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[CH3:57][N:58]([CH3:59])[CH2:60][C:61]([OH:62])=[O:63].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH2:1][CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([cH:15][cH:16][cH:17][c:18]3[CH:19]([CH3:20])[OH:21])[cH:22]2)[cH:9][cH:10]1)[NH:23][C:24]([c:25]1[cH:26][c:27]([Cl:35])[c:28]([O:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]1)=[O:36].[OH2:67]>>[NH:1]([CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([cH:15][cH:16][cH:17][c:18]3[CH:19]([CH3:20])[OH:21])[cH:22]2)[cH:9][cH:10]1)[NH:23][C:24]([c:25]1[cH:26][c:27]([Cl:35])[c:28]([O:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]1)=[O:36])[C:61]([CH2:60][N:58]([CH3:57])[CH3:59])=[O:62]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 673N,N-DimethylglycineHCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 76613277N-[1-amino-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

생성물 1

HCID 56644302
3-Chloro-N-((S)-1-(2-(dimethylamino)acetamido)-3-(4-(8-((S)-1-hydroxyethyl)-imidazo[1,2-a]pyridin-2-yl)phenyl)propan-2-yl)-4-isopropoxybenzamide

출처 및 근거

ORD 기록
ord-24b494dcbce542bc9f61b7300f61dad8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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