Acetonitrile → ethyl 2-(4-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-(methyl(2-phenoxyethyl)amino)thiazole-4-carboxylate

HRID 168520Notes

Reaction equation

HRID 168520 reaction equation
[CH3:54][C:55]#[N:56].[O:1]1[c:2]2[c:3]([cH:7][c:8](-[c:11]3[s:12][c:13]([N:21]([CH2:22][CH2:23][O:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH3:31])[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[cH:9][cH:10]2)[NH:4][CH2:5][CH2:6]1.[s:32]1[c:33]([NH:41][C:42]([O:43][c:45]2[cH:46][cH:47][c:48]([N+:49]([O-:50])=[O:51])[cH:52][cH:53]2)=[O:44])[n:34][c:35]2[c:36]1[cH:37][cH:38][cH:39][cH:40]2>>[O:1]1[c:2]2[c:3]([cH:7][c:8](-[c:11]3[s:12][c:13]([N:21]([CH2:22][CH2:23][O:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH3:31])[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[cH:9][cH:10]2)[N:4]([C:42]([NH:41][c:33]2[s:32][c:36]3[c:35]([n:34]2)[cH:40][cH:39][cH:38][cH:37]3)=[O:43])[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 594186764-Nitrophenyl benzo[d]thiazol-2-ylcarbamateHCID 59418724ethyl 2-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-(methyl(2-phenoxyethyl)amino)thiazole-4-carboxylate

Product 1

HCID 59418665ethyl 2-(4-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-(methyl(2-phenoxyethyl)amino)thiazole-4-carboxylate

Sources & evidence

ORD record
ord-fd9ba202ea8f4addaec9f570fcbb2dd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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