Ethanol → HCID 178441448, compound

HRID 294587Notes

Reaction equation

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10]([CH:53]3[CH:54]([C:61](=[O:62])[O:63][CH2:64][CH3:65])[CH:55]4[N:56]([O:57]3)[CH2:58][CH2:59][CH2:60]4)[cH:11][c:12]2[c:13](=[O:52])[n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23](-[c:28]3[n:29][n:30][n:31][n:32]3[C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:24][cH:25][cH:26][cH:27]2)[cH:20][cH:21]1.[CH3:66][CH2:67][OH:68].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:69]([Cl:70])([Cl:71])[Cl:72]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10]([CH:53]3[CH:54]([C:61](=[O:62])[O:63][CH2:64][CH3:65])[CH:55]4[N:56]([O:57]3)[CH2:58][CH2:59][CH2:60]4)[cH:11][c:12]2[c:13](=[O:52])[n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23](-[c:28]3[n:29][n:30][n:31][nH:32]3)[cH:24][cH:25][cH:26][cH:27]2)[cH:20][cH:21]1

Participants

Reactant 4

HCID 702Ethanol

HCID 6212Chloroform

HCID 8857Ethyl Acetate

HCID 18958919Ethyl 2-[2-butyl-3,4-dihydro-4-oxo-3-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-6-quinazolinyl]hexahydro-pyrrolo[1,2-b]isoxazole-3-carboxylate

Product 1

HCID 178441448HCID 178441448, compound

Sources & evidence

ORD record: ord-d7c798573b3b477a945c87f7d0c1cfc1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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