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Tetrahydrofuran → N-[4-(1-ethyl-4-{2-[4-(4-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]-4-thiomorpholinecarboxamide 1,1-dioxide

HRID 90514
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인쇄 미리보기

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HRID 90514 반응식
[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:21][cH:22]2)[cH:16]3)[cH:7]1.[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:44][C:45](=[O:46])[O:47][C:48]([CH3:49])=[CH2:50].[S:51]1(=[O:57])(=[O:58])[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:30]2[cH:31][cH:32][c:33]([NH:34][C:45](=[O:46])[N:54]3[CH2:53][CH2:52][S:51](=[O:57])(=[O:58])[CH2:56][CH2:55]3)[cH:35][cH:36]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]4[CH2:25][CH2:26][O:27][CH2:28][CH2:29]4)[cH:21][cH:22]2)[cH:16]3)[cH:7]1
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참가 물질

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반응물 5

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 93846Isopropenyl chloroformateHCID 6484228Thiomorpholine 1,1-dioxideHCID 689981684-(1-ethyl-4-{2-[4-(4-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)aniline

생성물 1

HCID 58980003
N-[4-(1-ethyl-4-{2-[4-(4-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]-4-thiomorpholinecarboxamide 1,1-dioxide

출처 및 근거

ORD 기록
ord-39609bba7dd04475a5df81b65cb0a3ee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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