Water → HCID 22291099, compound

HRID 145369Notes

Reaction equation

HRID 145369 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:9][c:10]1[c:11]([NH:31][C:32]([c:33]2[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]2)=[O:40])[cH:12][c:13]([NH:16][C:17]([c:18]2[cH:19][c:20]([N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[cH:21][cH:22][cH:23]2)=[O:30])[cH:14][cH:15]1.[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1.[Cs+:45].[Cs+:46].[OH2:47]>>[c:2]1([O:39][c:36]2[cH:35][cH:34][c:33]([C:32]([NH:31][c:11]3[c:10]([CH3:9])[cH:15][cH:14][c:13]([NH:16][C:17]([c:18]4[cH:19][c:20]([N:24]5[CH2:25][CH2:26][O:27][CH2:28][CH2:29]5)[cH:21][cH:22][cH:23]4)=[O:30])[cH:12]3)=[O:40])[cH:38][cH:37]2)[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 19660Carbonate IonHCID 709434,6-DichloropyrimidineHCID 104967Cesium cation2×HCID 22291116HCID 22291116, compound

Product 1

HCID 22291099HCID 22291099, compound

Sources & evidence

ORD record
ord-a4f4bf587b3e4ec688fd14388a0c20c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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