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Acetate → 7-methyl-5-[1-(phenylacetyl)-2,3-dihydro-1H-indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HRID 2346088
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HRID 2346088 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([C:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:19])[CH2:6][CH2:5]2.[Br:25][c:26]1[cH:27][n:28]([CH3:36])[c:29]2[n:30][cH:31][n:32][c:33]([NH2:35])[c:34]12.[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:21][C:22](=[O:23])[O-:24].[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[K+:20].[Na+:41].[O-:37][C:38]([OH:39])=[O:40]>>[c:2]1(-[c:26]2[cH:27][n:28]([CH3:36])[c:29]3[n:30][cH:31][n:32][c:33]([NH2:35])[c:34]23)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([C:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:19])[CH2:6][CH2:5]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175AcetateHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium IonHCID 3283Diethyl EtherHCID 312751,4-DioxaneHCID 665609385-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
HCID 66824105
5-bromo-1-(phenylacetyl)-2,3-dihydro-1H-indole

생성물 1

HCID 534667277-methyl-5-[1-(phenylacetyl)-2,3-dihydro-1H-indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

출처 및 근거

ORD 기록
ord-a7985152cf754185be99a11a18dc2be1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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