Dimethyl Sulfoxide → tert-butyl N-[1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate

HRID 676774

Reaction equation

HRID 676774 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26]([NH:27][CH:28]([CH3:29])[CH:30]1[CH2:31][NH:32][CH2:33][CH2:34]1)=[O:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][S:44](=[O:45])[CH3:46].[NH2:1][n:2]1[c:3](=[O:20])[n:4]([CH:17]2[CH2:18][CH2:19]2)[c:5]2[c:6]([O:15][CH3:16])[c:7]([F:14])[c:8]([F:13])[cH:9][c:10]2[c:11]1=[O:12].[OH2:47]>>[NH2:1][n:2]1[c:3](=[O:20])[n:4]([CH:17]2[CH2:18][CH2:19]2)[c:5]2[c:6]([O:15][CH3:16])[c:7]([N:32]3[CH2:31][CH:30]([CH:28]([NH:27][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:35])[CH3:29])[CH2:34][CH2:33]3)[c:8]([F:13])[cH:9][c:10]2[c:11]1=[O:12]

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8471TriethylamineHCID 111968242,4(1H,3H)-Quinazolinedione, 3-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-HCID 14099015tert-butyl N-[1-(pyrrolidin-3-yl)ethyl]carbamate

Product 1

HCID 21041204tert-butyl N-[1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate

Sources & evidence

ORD record
ord-5c201f6bee594294b2649daaabea4fd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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