Ammonium → 2-[4-(2,4-Difluoro-phenyl)-4H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-9-carboxylic acid amide

반응식

[Cl-:31].[F:1][c:2]1[c:3](-[n:9]2[c:10](-[c:14]3[s:15][c:16]4[c:22]([n:23]3)-[c:21]3[c:20]([cH:27][cH:26][c:25]([C:28](=[O:29])[OH:30])[cH:24]3)[O:19][CH2:18][CH2:17]4)[n:11][n:12][cH:13]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH4+:32]>>[F:1][c:2]1[c:3](-[n:9]2[c:10](-[c:14]3[s:15][c:16]4[c:22]([n:23]3)-[c:21]3[c:20]([cH:27][cH:26][c:25]([C:28](=[O:30])[NH2:32])[cH:24]3)[O:19][CH2:18][CH2:17]4)[n:11][n:12][cH:13]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

참가 물질

반응물 3

HCID 223Ammonium

HCID 312Chloride

HCID 668686062-[4-(2,4-difluoro-phenyl)-4H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-9-carboxylic acid

생성물 1

HCID 532348942-[4-(2,4-Difluoro-phenyl)-4H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-9-carboxylic acid amide

출처 및 근거

ORD 기록: ord-ba33954303c64a67b783acd4bc114072
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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