O-Phenylenediamine → N-[4-morpholin-4-yl-6-(3-morpholin-4-yl-azetidin-1-ylmethyl)-thieno[3,2-d]pyrimidin-2-yl]benzene-1,2-diamine

HRID 1546496Notes

Reaction equation

HRID 1546496 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[CH2:15]1)[s:10]2.[Cs+:40].[Cs+:41].[NH2:28][c:29]1[c:30]([NH2:35])[cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([NH:28][c:29]2[c:30]([NH2:35])[cH:31][cH:32][cH:33][cH:34]2)[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[CH2:15]1)[s:10]2

Participants

6

Reactant 5

HCID 7243O-PhenylenediamineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 596053422-Chloro-4-morpholin-4-yl-6-(3-morpholin-4-ylazetidin-1-ylmethyl)thieno[3,2-d]pyrimidine

Product 1

HCID 59606113N-[4-morpholin-4-yl-6-(3-morpholin-4-yl-azetidin-1-ylmethyl)-thieno[3,2-d]pyrimidin-2-yl]benzene-1,2-diamine

Sources & evidence

ORD record
ord-1662af0e55364d99a754d655e5431dda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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