Acetone → HCID 178441529, compound

HRID 1148036Notes

Reaction equation

HRID 1148036 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[n:8]([c:9](=[O:48])[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][n:28]4[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]1)[n:49][cH:50][cH:51]2.[CH3:53][C:54]([CH3:55])=[O:56].[CH3:57][OH:58].[ClH:59].[OH2:52]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[n:8]([c:9](=[O:48])[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][nH:28]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]1)[n:49][cH:50][cH:51]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 18958728HCID 18958728, compound

Product 1

HCID 178441529HCID 178441529, compound

Sources & evidence

ORD record
ord-0b2b989b7e7440d39233b266cbb1339d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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