1,2-Dichloroethane → 1-ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

HRID 115182Notes

Reaction equation

HRID 115182 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([N:23]3[CH:24]([CH3:29])[CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][NH:20][CH2:21][CH2:22]3)[cH:11][cH:12]1.[CH3:58][S:59]([CH3:60])=[O:61].[Cl:49][CH2:50][CH2:51][Cl:52].[Na+:48].[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[O:30]1[CH2:31][C:32](=[O:34])[CH2:33]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([N:23]3[CH:24]([CH3:29])[CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][N:20]([CH:32]2[CH2:31][O:30][CH2:33]2)[CH2:21][CH2:22]3)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 150242543-OxetanoneHCID 666875921-Ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

Product 1

HCID 601549011-ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

Sources & evidence

ORD record
ord-8c0a0b4f58964ad3a562c548a86d681a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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