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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Tetrahydrofuran → 1-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-9-yl]-azetidin-1-yl}-2-methyl-propan-2-ol

HRID 2342626
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인쇄 미리보기

반응식

HRID 2342626 반응식
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Cl+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[Li+:6].[NH:12]1[CH2:13][CH:14]([c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:37]2)-[c:21]2[n:22][c:23](-[c:29]4[n:30]([CH:34]([CH3:35])[CH3:36])[n:31][cH:32][n:33]4)[s:24][c:25]2[CH2:26][CH2:27][O:28]3)[CH2:15]1.[O:7]1[CH2:8][C:9]1([CH3:10])[CH3:11]>>[OH:7][C:9]([CH2:8][N:12]1[CH2:13][CH:14]([c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:37]2)-[c:21]2[n:22][c:23](-[c:29]4[n:30]([CH:34]([CH3:35])[CH3:36])[n:31][cH:32][n:33]4)[s:24][c:25]2[CH2:26][CH2:27][O:28]3)[CH2:15]1)([CH3:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 11208Isobutylene oxideHCID 28486Lithium ionHCID 123351PerchlorateHCID 670505299-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 51355044
1-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-9-yl]-azetidin-1-yl}-2-methyl-propan-2-ol

출처 및 근거

ORD 기록
ord-3df28a6fd4394f49af36d910adc00b0f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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