Ethanol → HCID 69710392, compound

HRID 1215655Notes

Reaction equation

HRID 1215655 reaction equation
[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:76][CH2:77][OH:78].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([S:8][CH3:9])[n:7]1)[CH2:10][CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]2.[Cl:21][c:22]1[c:23]([B:29]([OH:30])[OH:31])[cH:24][cH:25][c:26]([Cl:28])[cH:27]1.[Na+:62].[Na+:63].[O-:64][C:65](=[O:66])[O-:67].[OH2:75].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:2]1(-[c:23]2[c:22]([Cl:21])[cH:27][c:26]([Cl:28])[cH:25][cH:24]2)[c:3]2[c:4]([n:5][c:6]([S:8][CH3:9])[n:7]1)[CH2:10][CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]2

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 821241,4-Bis(diphenylphosphino)butaneHCID 2734659(2,4-Dichlorophenyl)boronic acidHCID 86583989HCID 86583989, compound

Product 1

HCID 69710392HCID 69710392, compound

Sources & evidence

ORD record
ord-6d49a226d16a4c4295d6a00b2c58fcea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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