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Sodium Ion → 3-(3-(2-Chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-4-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzamide

HRID 1129232
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HRID 1129232 반응식
[C:45](=[O:46])([O-:47])[O-:48].[CH3:31][n:32]1[n:33][cH:34][cH:35][c:36]1[NH2:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10][c:11]3[n:12]2[cH:13][cH:14][c:15](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24][c:25]2[CH3:26])[cH:16]3)[cH:4][cH:5][cH:6][cH:7]1.[Na+:49].[Na+:50].[S:27]([Cl:28])([Cl:29])=[O:30]>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][n:10][c:11]3[n:12]2[cH:13][cH:14][c:15](-[c:17]2[cH:18][c:19]([C:20](=[O:22])[NH:37][c:36]4[n:32]([CH3:31])[n:33][cH:34][cH:35]4)[cH:23][cH:24][c:25]2[CH3:26])[cH:16]3)[cH:4][cH:5][cH:6][cH:7]1
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7

반응물 6

HCID 923Sodium Ion2회HCID 8471TriethylamineHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 1369272-Methyl-2H-pyrazol-3-ylamineHCID 592613633-(3-(2-Chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-4-methylbenzoic acid

생성물 1

HCID 59261383
3-(3-(2-Chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-4-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzamide

출처 및 근거

ORD 기록
ord-6a8101f68bf140a0bfd07a91062ac1c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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