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Bromide ion → 5-(2-(1,3-dioxolan-2-yl)vinyl)-N-cyclohexyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-4-amine

HRID 691825
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HRID 691825 반응식
[Br-:1].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH:33]1([NH:39][c:40]2[c:41]3[c:42]([n:43][cH:44][c:45]2[CH:46]=[O:47])[n:48]([S:51](=[O:52])(=[O:53])[c:54]2[cH:55][cH:56][c:57]([CH3:58])[cH:59][cH:60]2)[cH:49][cH:50]3)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[K+:32].[O:2]1[CH:3]([CH2:7][P+:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[O:4][CH2:5][CH2:6]1.[OH2:61]>>[O:2]1[CH:3]([CH:7]=[CH:27][c:45]2[c:40]([NH:39][CH:33]3[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]3)[c:41]3[c:42]([n:43][cH:44]2)[n:48]([S:51](=[O:52])(=[O:53])[c:54]2[cH:55][cH:56][c:57]([CH3:58])[cH:59][cH:60]2)[cH:49][cH:50]3)[O:4][CH2:5][CH2:6]1
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참가 물질

8

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HCID 259Bromide ionHCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 27241951,3-Dioxolan-2-ylmethyl(triphenyl)phosphaniumHCID 45749132-Methylpropan-2-olateHCID 585572344-(cyclohexylamino)-1-tosyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde

생성물 1

HCID 672172225-(2-(1,3-dioxolan-2-yl)vinyl)-N-cyclohexyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-4-amine

출처 및 근거

ORD 기록
ord-500f5c9b60f64894b5459799f508c02f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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