Water → HCID 178487713, compound

HRID 1573076Notes

Reaction equation

HRID 1573076 reaction equation
[C:52](=[O:53])([O-:54])[O-:55].[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](=[O:23])[n:6]([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][c:20]23)[n:7]1.[Cl:24][c:25]1[c:26]([CH:40]([C:41]([F:42])([F:43])[F:44])[NH:45][S:46](=[O:47])[C:48]([CH3:49])([CH3:50])[CH3:51])[cH:27][cH:28][c:29]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:30]1.[Cs+:56].[Cs+:57].[OH2:64]>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([CH:40]([C:41]([F:42])([F:43])[F:44])[NH:45][S:46](=[O:47])[C:48]([CH3:49])([CH3:50])[CH3:51])[c:25]([Cl:24])[cH:30]2)[cH:3][cH:4][c:5](=[O:23])[n:6]([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][c:20]23)[n:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 598430126-chloro-2-(2-(7-methoxyquinolin-4-yloxy)ethyl)pyridazin-3(2H)-oneHCID 68848762N-[1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

Product 1

HCID 178487713HCID 178487713, compound

Sources & evidence

ORD record
ord-2d72463538184a7da9e2384758a2f2fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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