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Hydrochloric Acid → ethyl 1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

HRID 1537571
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HRID 1537571 반응식
[CH3:58][C:59]#[N:60].[ClH:49].[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([CH3:20])[c:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[c:13]3[OH:14])[cH:21][cH:22][cH:23][c:24]1[F:25].[F:32][C:33]([S:34]([O:35][S:36]([C:37]([F:38])([F:39])[F:40])(=[O:41])=[O:42])(=[O:43])=[O:44])([F:45])[F:46].[I-:48].[Na+:47].[Na+:50].[Na+:51].[O-:52][S:53]([O-:54])(=[S:55])=[O:56].[OH2:57].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([CH3:20])[c:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[c:13]3[I:48])[cH:21][cH:22][cH:23][c:24]1[F:25]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 923Sodium Ion3회HCID 962WaterHCID 1049PyridineHCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 30165Iodide IonHCID 67749Trifluoromethanesulfonic anhydride
HCID 178469182ethyl 1-(2,3-difluorobenzyl)-4-hydroxy-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

생성물 1

HCID 71209259ethyl 1-(2,3-difluorobenzyl)-4-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

출처 및 근거

ORD 기록
ord-4a33eb7ce541466d928abde3689fd8e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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