Water → HCID 57672267, compound

HRID 1113093Notes

Reaction equation

HRID 1113093 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][C:41]#[N:42].[CH:9]1([CH2:15][N:16]2[C:17](=[O:33])[c:18]3[c:19]([CH3:32])[cH:20][c:21]([CH2:25][CH:26]4[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]4)[cH:22][c:23]3[CH2:24]2)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[Cl:1][CH2:2][c:3]1[n:4][cH:5][cH:6][cH:7][n:8]1.[Cs+:38].[Cs+:39].[OH2:43]>>[CH2:2]([c:3]1[n:4][cH:5][cH:6][cH:7][n:8]1)[N:29]1[CH2:28][CH2:27][CH:26]([CH2:25][c:21]2[cH:20][c:19]([CH3:32])[c:18]3[c:23]([cH:22]2)[CH2:24][N:16]([CH2:15][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[C:17]3=[O:33])[CH2:31][CH2:30]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 128773712-(Chloromethyl)pyrimidineHCID 57672262HCID 57672262, compound

Product 1

HCID 57672267HCID 57672267, compound

Sources & evidence

ORD record
ord-c86464256a1d4b0b8d0c0c5aca21c2f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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