Ethanol → HCID 15477739, compound

HRID 190367Notes

Reaction equation

HRID 190367 reaction equation
[BH:40]([OH:41])[OH:42].[C:51](=[O:52])([O-:53])[O-:54].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[CH3:69][CH2:70][OH:71].[Cl:31][c:32]1[n:33][cH:34][c:35]([Cl:39])[c:36]([Cl:38])[n:37]1.[Cl:43][c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[Cl:50].[Na+:55].[Na+:56].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[Cl:31][c:32]1[n:33][cH:34][c:35]([Cl:39])[c:36](-[c:47]2[cH:46][cH:45][c:44]([Cl:43])[c:49]([Cl:50])[cH:48]2)[n:37]1

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 3283Diethyl EtherHCID 72391,2-DichlorobenzeneHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 821241,4-Bis(diphenylphosphino)butaneHCID 2372592,4,5-Trichloropyrimidine

Product 1

HCID 15477739HCID 15477739, compound

Sources & evidence

ORD record
ord-bba570b507bf4625b0fc85a8ea94519d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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