Dimethylformamide → (1-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidine-1-carbonyl}-cyclopropyl)-carbamic acid tert-butyl ester

HRID 1209073Notes

Reaction equation

HRID 1209073 reaction equation
[C:32](=[O:33])([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[NH:39][C:40]1([C:43](=[O:44])[OH:45])[CH2:41][CH2:42]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:1][CH:2]([CH3:3])[C:4]([N:5]1[CH2:6][CH:7]([c:9]2[cH:10][c:11]3[c:12]([cH:29][cH:30]2)-[c:13]2[n:14][c:15](-[c:21]4[n:22]([CH:26]([CH3:27])[CH3:28])[n:23][cH:24][n:25]4)[s:16][c:17]2[CH2:18][CH2:19][O:20]3)[CH2:8]1)=[O:31]>>[N:5]1([C:43]([C:40]2([NH:39][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:41][CH2:42]2)=[O:45])[CH2:6][CH:7]([c:9]2[cH:10][c:11]3[c:12]([cH:29][cH:30]2)-[c:13]2[n:14][c:15](-[c:21]4[n:22]([CH:26]([CH3:27])[CH3:28])[n:23][cH:24][n:25]4)[s:16][c:17]2[CH2:18][CH2:19][O:20]3)[CH2:8]1

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 6883961-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acidHCID 670505802-Hydroxy-1-[3-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-8-yl]azetidin-1-yl]propan-1-one

Product 1

HCID 67050572(1-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidine-1-carbonyl}-cyclopropyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-06484d0d33e74e3aaf3eb9b8585d6cc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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