Methanol → HCID 178441444, compound

HRID 140616Notes

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[CH2:54][CH:55]4[N:56]([O:57]3)[C:58]([CH3:61])([CH3:62])[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.[CH3:63][OH:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[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[CH2:54][CH:55]4[N:56]([O:57]3)[C:58]([CH3:61])([CH3:62])[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[nH:29][n:30][n:31][n:32]3)[cH:24][cH:25][cH:26][cH:27]2)[cH:20][cH:21]1

Participants

Reactant 3

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 189589232-butyl-6-(6,6-dimethyl-3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-b][1,2]oxazol-2-yl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one

Product 1

HCID 178441444HCID 178441444, compound

Sources & evidence

ORD record: ord-93d25d3733ba4e31a2a77199d2035287
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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