Acetone → HCID 58075523, compound

HRID 2343283Notes

Reaction equation

HRID 2343283 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:41][C:42](=[O:43])[CH3:44].[Cl:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[c:8]([O:38][CH3:39])[cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([N:29]4[CH2:30][C:31]5([O:32][CH2:35][CH2:34][O:33]5)[CH2:36][CH2:37]4)[c:17]4[c:18]([n:19]3)[CH:20]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:21][CH2:22]4)[cH:11][cH:12]2)[cH:6]1.[ClH:40]>>[Cl:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[c:8]([O:38][CH3:39])[cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([N:29]4[CH2:30][C:31](=[O:32])[CH2:36][CH2:37]4)[c:17]4[c:18]([n:19]3)[CH:20]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:21][CH2:22]4)[cH:11][cH:12]2)[cH:6]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 50912912HCID 50912912, compound

Product 1

HCID 58075523HCID 58075523, compound

Sources & evidence

ORD record
ord-56766b9063394f46a02f3e59d4e3a23b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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