Dichloromethane → (5-Chloro-7-morpholin-4-ylthiazolo[5,4-d]pyrimidin-2-yl)-(2,2-dimethyl-4-oxetan-3-ylpiperazin-1-yl)methanone

HRID 699724Notes

Reaction equation

HRID 699724 reaction equation
[CH3:20][C:21]1([CH3:31])[CH2:22][N:23]([CH:27]2[CH2:28][O:29][CH2:30]2)[CH2:24][CH2:25][NH:26]1.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([C:11](=[O:12])[OH:13])[n:10]2.[Cl:65][CH2:66][Cl:67].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([C:11](=[O:13])[N:26]1[C:21]([CH3:20])([CH3:31])[CH2:22][N:23]([CH:27]3[CH2:28][O:29][CH2:30]3)[CH2:24][CH2:25]1)[n:10]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 674922623,3-Dimethyl-1-(oxetan-3-yl)piperazineHCID 866482365-Chloro-7-morpholin-4-ylthiazolo[5,4-d]pyrimidine-2-carboxylic acid

Product 1

HCID 59606073(5-Chloro-7-morpholin-4-ylthiazolo[5,4-d]pyrimidin-2-yl)-(2,2-dimethyl-4-oxetan-3-ylpiperazin-1-yl)methanone

Sources & evidence

ORD record
ord-37eef7c9250c4d75906a90faa286b77c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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