Water → HCID 51347750, compound

HRID 1566567Notes

Reaction equation

HRID 1566567 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:19]([CH3:20])[CH3:21])[n:16][cH:17][n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2.[C:43](=[O:44])([O-:45])[O-:46].[CH3:24][C:25]([CH2:26][n:27]1[n:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1)([CH3:41])[OH:42].[CH:59]([OH:60])([CH3:61])[CH3:62].[Cl:49][CH2:50][Cl:51].[Cs+:47].[Cs+:48].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:58]>>[c:2]1(-[c:30]2[cH:29][n:28][n:27]([CH2:26][C:25]([CH3:24])([CH3:41])[OH:42])[cH:31]2)[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:19]([CH3:20])[CH3:21])[n:16][cH:17][n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2

Participants

9

Reactant 8

HCID 962WaterHCID 3776IsopropanolHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 582041312-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-olHCID 582043138-bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Product 1

HCID 51347750HCID 51347750, compound

Sources & evidence

ORD record
ord-1653945fd74d4568bedfaa7bc83e8465
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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