Hydrochloric Acid → 1-{4-[4-(Benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]-pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl}-2-(2-methoxyethoxy)-ethanone

HRID 215531

반응식

HRID 215531 반응식
[CH3:48][O:49][CH2:50][CH2:51][O:52][CH2:53][C:54](=[O:55])[OH:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:1].[ClH:2].[ClH:3].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1.[s:4]1[cH:5][n:6][c:7]2[c:8]1[cH:9][c:10]([NH:13][c:14]1[c:15]3[c:16]([n:17][cH:18][n:19]1)[nH:20][c:21]([C:23]1=[CH:28][CH2:27][NH:26][CH2:25][CH2:24]1)[cH:22]3)[cH:11][cH:12]2>>[s:4]1[cH:5][n:6][c:7]2[c:8]1[cH:9][c:10]([NH:13][c:14]1[c:15]3[c:16]([n:17][cH:18][n:19]1)[nH:20][c:21]([C:23]1=[CH:28][CH2:27][N:26]([C:54]([CH2:53][O:52][CH2:51][CH2:50][O:49][CH3:48])=[O:55])[CH2:25][CH2:24]1)[cH:22]3)[cH:11][cH:12]2

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid3회HCID 6228DimethylformamideHCID 27642(2-Methoxyethoxy)acetic acidHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 58709796N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,3-benzothiazol-6-amine

생성물 1

HCID 116983751-{4-[4-(Benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]-pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl}-2-(2-methoxyethoxy)-ethanone

출처 및 근거

ORD 기록
ord-d0321843bdb8424bb45788b2f7cbde96
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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