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Bicarbonate Ion → 2-{6-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrimidin-4-yl}-N,N-dimethyl-2-oxo-acetamide

HRID 672994
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HRID 672994 반응식
[C:1](#[N:2])[CH:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])[c:9]1[n:10][cH:11][n:12][c:13](-[c:15]2[cH:16][c:17]3[c:18]([n:19][cH:20]2)[n:21]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[cH:22][c:23]3-[c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:14]1.[C:42]([O:43][OH:45])(=[O:44])[CH3:46].[C:52](=[O:53])([OH:54])[O-:55].[Na+:51].[Na+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:62].[S:47](=[O:48])([OH:49])[O-:50]>>[C:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])([c:9]1[n:10][cH:11][n:12][c:13](-[c:15]2[cH:16][c:17]3[c:18]([n:19][cH:20]2)[n:21]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[cH:22][c:23]3-[c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:14]1)=[O:44]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 962WaterHCID 6585Peracetic AcidHCID 8028TetrahydrofuranHCID 104748BisulfiteHCID 598249952-cyano-2-{6-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrimidin-4-yl}-N,N-dimethyl-acetamide

생성물 1

HCID 598250612-{6-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrimidin-4-yl}-N,N-dimethyl-2-oxo-acetamide

출처 및 근거

ORD 기록
ord-0f974a1a25d24d498d6d408904300cfb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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