Hydroxide → HCID 54596871, compound

HRID 281239Notes

Reaction equation

HRID 281239 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][c:6]1[c:7](-[c:26]2[cH:27][n:28]([CH3:41])[c:29](=[O:40])[c:30]([NH:32][c:33]3[n:34][nH:35][c:36]([CH2:38][CH3:39])[cH:37]3)[cH:31]2)[cH:8][cH:9][cH:10][c:11]1[N:12]1[C:13](=[O:25])[c:14]2[n:15]([c:16]3[c:21]([cH:22]2)[CH2:20][CH2:19][CH2:18][CH2:17]3)[CH2:23][CH2:24]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH:50]([OH:51])([CH3:52])[CH3:53].[Li+:43].[OH-:42].[OH2:44].[OH2:54]>>[OH:4][CH2:5][c:6]1[c:7](-[c:26]2[cH:27][n:28]([CH3:41])[c:29](=[O:40])[c:30]([NH:32][c:33]3[n:34][nH:35][c:36]([CH2:38][CH3:39])[cH:37]3)[cH:31]2)[cH:8][cH:9][cH:10][c:11]1[N:12]1[C:13](=[O:25])[c:14]2[n:15]([c:16]3[c:21]([cH:22]2)[CH2:20][CH2:19][CH2:18][CH2:17]3)[CH2:23][CH2:24]1

Participants

7

Reactant 6

HCID 961HydroxideHCID 962Water2×HCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 670162162-(5-(5-Ethyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl acetate

Product 1

HCID 54596871HCID 54596871, compound

Sources & evidence

ORD record
ord-3c15b580b5c24c95b997ed6ba04cfbad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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