Dimethylamine → (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]-azetidine-1-sulfonyl}-ethyl)-dimethyl-amine

반응식

[CH3:32][NH:33][CH3:34].[CH:1](=[CH2:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH:8]([c:10]2[cH:11][c:12]3[c:13]([cH:30][cH:31]2)-[c:14]2[n:15][c:16](-[c:22]4[n:23]([CH:27]([CH3:28])[CH3:29])[n:24][cH:25][n:26]4)[s:17][c:18]2[CH2:19][CH2:20][O:21]3)[CH2:9]1>>[CH2:1]([CH2:2][N:33]([CH3:32])[CH3:34])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH:8]([c:10]2[cH:11][c:12]3[c:13]([cH:30][cH:31]2)-[c:14]2[n:15][c:16](-[c:22]4[n:23]([CH:27]([CH3:28])[CH3:29])[n:24][cH:25][n:26]4)[s:17][c:18]2[CH2:19][CH2:20][O:21]3)[CH2:9]1

참가 물질

반응물 2

HCID 674Dimethylamine

HCID 670505818-(1-Ethenesulfonyl-azetidin-3-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

생성물 1

HCID 58204046(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]-azetidine-1-sulfonyl}-ethyl)-dimethyl-amine

출처 및 근거

ORD 기록: ord-5e139287139e415f92e51ca138e664e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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