Water → HCID 57691275, compound

HRID 1127594Notes

Reaction equation

HRID 1127594 reaction equation
[C:50](=[O:51])([O-:52])[O-:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:11][O:12][c:13]1[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][c:22]13)[n:9][n:10]2.[Cl:25][c:26]1[c:27]([CH2:28][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:37][cH:38][c:39]([B:41]2[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]2)[cH:40]1.[Cs+:54].[Cs+:55].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH2:62]>>[c:2]1(-[c:39]2[cH:38][cH:37][c:27]([CH2:28][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[c:26]([Cl:25])[cH:40]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:11][O:12][c:13]1[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][c:22]13)[n:9][n:10]2

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 250669924-((6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinolineHCID 57691281HCID 57691281, compound

Product 1

HCID 57691275HCID 57691275, compound

Sources & evidence

ORD record
ord-b54f33e5175a41178ae9d58a1e5727a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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