Acetone → HCID 178442046, compound

HRID 1127030Notes

Reaction equation

HRID 1127030 reaction equation
[C:57](=[O:58])([O-:59])[O-:60].[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[n:32]1[c:33](-[c:46]2[cH:47][c:48]3[cH:49][cH:50][c:51]([OH:56])[cH:52][c:53]3[cH:54][cH:55]2)[c:34]([CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12.[CH3:66][C:67](=[O:68])[CH3:69].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:77][OH:78].[Cl:18][CH2:19][c:20]1[n:21][n:22][n:23][nH:24]1.[ClH:63].[Cs+:61].[Cs+:62].[Na+:65].[OH-:64].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[nH+:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[CH2:19]([c:20]1[n:21][n:22][n:23][nH:24]1)[O:56][c:51]1[cH:50][cH:49][c:48]2[cH:47][c:46](-[c:33]3[n:32]([CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:40]4[c:35]([c:34]3[CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[cH:36][cH:37][cH:38][cH:39]4)[cH:55][cH:54][c:53]2[cH:52]1

Participants

13

Reactant 12

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 19660Carbonate IonHCID 85570p-ToluenesulfonateHCID 104967Cesium cation2×HCID 4989215PyridiniumHCID 223273436-(1-Benzyl-3-pentyl-1H-indol-2-yl)-2-naphtholHCID 178478452HCID 178478452, compound

Product 1

HCID 178442046HCID 178442046, compound

Sources & evidence

ORD record
ord-cc806460afad448ea6612f71bd1a4832
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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