Water → C10H13ClIN3O

HRID 1216421Notes

Reaction equation

HRID 1216421 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:24][S:25](=[O:26])(=[O:27])[Cl:28].[CH3:29][S:30]([O:31][CH2:32][c:33]1[cH:34][c:35]([N:36]2[CH2:37][CH2:38][O:39][CH2:40][CH:41]2[CH3:42])[n:43][c:44]([Cl:45])[n:46]1)(=[O:47])=[O:48].[Cl:49][c:50]1[n:51][c:52]([N:53]2[CH2:54][CH2:55][O:56][CH2:57][CH:58]2[CH3:59])[cH:60][c:61]([CH2:62][Cl:63])[n:64]1.[Cl:67][CH2:68][Cl:69].[Cl:8][c:9]1[n:10][c:11]([N:17]2[CH:18]([CH3:23])[CH2:19][O:20][CH2:21][CH2:22]2)[cH:12][c:13]([CH2:15][OH:16])[n:14]1.[I-:65].[Li+:66].[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[OH2:76]>>[Cl:8][c:9]1[n:10][c:11]([N:17]2[CH:18]([CH3:23])[CH2:19][O:20][CH2:21][CH2:22]2)[cH:12][c:13]([CH2:15][I:65])[n:14]1

Participants

11

Reactant 10

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 28486Lithium ionHCID 30165Iodide IonHCID 312751,4-DioxaneHCID 31297Methanesulfonyl chlorideHCID 72282494[2-Chloro-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]methyl methanesulfonateHCID 72282660[2-Chloro-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]methanolHCID 765616834-[2-Chloro-6-(chloromethyl)pyrimidin-4-yl]-3-methylmorpholine

Product 1

HCID 72282589C10H13ClIN3O

Sources & evidence

ORD record
ord-9904cead86a34e8caf8584a5c50c6b04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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