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Hydroxide → 4-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester

HRID 1538514
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HRID 1538514 반응식
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:10]([c:11]2[cH:12][c:13]3[c:14]([cH:31][cH:32]2)-[c:15]2[n:16][c:17](-[c:23]4[n:24]([CH:28]([CH3:29])[CH3:30])[n:25][cH:26][n:27]4)[cH:18][n:19]2[CH2:20][CH2:21][O:22]3)[CH2:9][CH2:8][N:7]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:6]1.[Li+:42].[OH-:41].[OH2:40].[OH2:48]>>[O:2]=[C:3]([OH:4])[C:5]1=[C:10]([c:11]2[cH:12][c:13]3[c:14]([cH:31][cH:32]2)-[c:15]2[n:16][c:17](-[c:23]4[n:24]([CH:28]([CH3:29])[CH3:30])[n:25][cH:26][n:27]4)[cH:18][n:19]2[CH2:20][CH2:21][O:22]3)[CH2:9][CH2:8][N:7]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:6]1
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참가 물질

6

반응물 5

HCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 582042864-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester

생성물 1

HCID 58204757
4-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester

출처 및 근거

ORD 기록
ord-1027c21f33ef4e1aa9f8501bfe75f106
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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