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Dimethyl Sulfoxide → 2-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-isobutyramide

HRID 2141887
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HRID 2141887 반응식
[C:32]([O-:33])(=[O:34])[O-:35].[CH3:41][S:42]([CH3:43])=[O:44].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][N:25]([C:27]([C:28]#[N:29])([CH3:30])[CH3:31])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[K+:36].[K+:37].[OH2:40].[OH:38][OH:39]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][N:25]([C:27]([C:28]([NH2:29])=[O:33])([CH3:30])[CH3:31])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 784Hydrogen PeroxideHCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 582038042-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-2-methyl-propionitrile

생성물 1

HCID 58204259
2-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-isobutyramide

출처 및 근거

ORD 기록
ord-77067e9b775746879a9e0f16d94a97f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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