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Bromide ion → 2-[3-(2,2-Difluoro-benzo[1,3]dioxol-5-ylamino)-5-(2,6-dimethyl-pyridin-4-yl)-[1,2,4]-triazol-1-yl]-N-ethyl-acetamide

HRID 106926
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HRID 106926 반응식
[Br-:44].[CH-:53]([C:54](=[O:55])[CH3:56])[C:57](=[O:58])[CH3:59].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH3:45][Mg+:46].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[CH3:60][OH:61].[Cl:1][c:2]1[n:3][c:4]([CH3:31])[cH:5][c:6](-[c:8]2[n:9][c:10]([NH:19][c:20]3[cH:21][c:22]4[c:23]([cH:29][cH:30]3)[O:24][C:25]([F:27])([F:28])[O:26]4)[n:11][n:12]2[CH2:13][C:14](=[O:15])[NH:16][CH2:17][CH3:18])[cH:7]1.[Fe+3:52]>>[c:2]1([CH3:32])[n:3][c:4]([CH3:31])[cH:5][c:6](-[c:8]2[n:9][c:10]([NH:19][c:20]3[cH:21][c:22]4[c:23]([cH:29][cH:30]3)[O:24][C:25]([F:27])([F:28])[O:26]4)[n:11][n:12]2[CH2:13][C:14](=[O:15])[NH:16][CH2:17][CH3:18])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 259Bromide ionHCID 887MethanolHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 13387N-methyl-2-pyrrolidoneHCID 29936Ferric cationHCID 594977652-[5-(2-Chloro-6-methyl-pyridin-4-yl)-3-(2,2-difluoro-benzo[1,3]dioxol-5-ylamino)-[1,2,4]triazol-1-yl]-N-ethyl-acetamide
HCID 178468203HCID 178468203, 화합물
HCID 178477777HCID 178477777, 화합물

생성물 1

HCID 252296152-[3-(2,2-Difluoro-benzo[1,3]dioxol-5-ylamino)-5-(2,6-dimethyl-pyridin-4-yl)-[1,2,4]-triazol-1-yl]-N-ethyl-acetamide

출처 및 근거

ORD 기록
ord-c87b1fd11bb14e1eaaf1e24cea0f7ab1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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