Hydrochloric Acid → HCID 18332039, compound

HRID 1571104Notes

Reaction equation

HRID 1571104 reaction equation
[C:64](=[O:65])([O-:66])[O-:67].[CH2:19]([CH:20]1[CH2:21][CH2:22][CH:23]([c:24]2[cH:25][c:26]([F:27])[cH:28][c:29]([Cl:30])[cH:31]2)[CH2:32][CH2:33]1)[CH2:34][CH3:35].[CH2:1]([CH2:2][CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]([c:10]2[cH:11][c:12]([Cl:18])[c:13]([I:17])[c:14]([F:16])[cH:15]2)[CH2:8][CH2:9]1.[CH2:71]([OH:72])[CH3:73].[CH3:56][O:57][B:58]([O:59][CH3:60])[O:61][CH3:62].[ClH:63].[F:47][c:48]1[cH:49][c:50]([Br:51])[cH:52][cH:53][c:54]1[F:55].[K+:68].[K+:69].[OH2:70].[OH:36][B:37]([c:38]1[cH:39][c:40]([F:45])[c:41]([F:44])[cH:42][cH:43]1)[OH:46].[c:74]1([CH3:75])[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[CH2:1]([CH2:2][CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]([c:10]2[cH:11][c:12]([Cl:18])[c:13](-[c:38]3[cH:39][c:40]([F:45])[c:41]([F:44])[cH:42][cH:43]3)[c:14]([F:16])[cH:15]2)[CH2:8][CH2:9]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8470Trimethyl borateHCID 19660Carbonate IonHCID 676754-Bromo-1,2-difluorobenzeneHCID 27343373,4-Difluorobenzeneboronic acidHCID 18332064HCID 18332064, compoundHCID 18332068HCID 18332068, compound

Product 1

HCID 18332039HCID 18332039, compound

Sources & evidence

ORD record
ord-e2a53801100b49d0840c013b360d8747
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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