Acetone → HCID 59352676, compound

HRID 1128353Notes

Reaction equation

HRID 1128353 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:36][C:37](=[O:38])[CH3:39].[CH3:40][C:41](=[O:42])[CH2:43][CH3:44].[Cl:28][c:29]1[n:30][c:31]([CH2:34][Cl:35])[n:32][s:33]1.[Cs+:26].[Cs+:27].[NH:1]1[C:2](=[O:21])[C:3]2([CH2:4][O:5][c:6]3[c:7]2[cH:8][c:9]2[c:10]([cH:14]3)[O:11][CH2:12][O:13]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21>>[N:1]1([CH2:34][c:31]2[n:30][c:29]([Cl:28])[s:33][n:32]2)[C:2](=[O:21])[C:3]2([CH2:4][O:5][c:6]3[c:7]2[cH:8][c:9]2[c:10]([cH:14]3)[O:11][CH2:12][O:13]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21

Participants

7

Reactant 6

HCID 180AcetoneHCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 3326105-Chloro-3-(chloromethyl)-1,2,4-thiadiazoleHCID 53375495spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-one

Product 1

HCID 59352676HCID 59352676, compound

Sources & evidence

ORD record
ord-3ea748a73cd3485eb168c2f1bbde423f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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