Hydrochloric Acid → HCID 12150234, compound

HRID 160139Notes

Reaction equation

HRID 160139 reaction equation
[CH3:34][NH:35][CH3:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:44]([OH:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11](-[c:15]3[n:16][c:17]([NH:29][CH3:30])[n:18][c:19]4[cH:20][c:21]([O:27][CH3:28])[c:22]([O:25][CH3:26])[cH:23][c:24]34)[cH:12][cH:13][cH:14]2)[cH:31][cH:32]1.[ClH:33].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[c:2]1([N:35]([CH3:34])[CH3:36])[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11](-[c:15]3[n:16][c:17]([NH:29][CH3:30])[n:18][c:19]4[cH:20][c:21]([O:27][CH3:28])[c:22]([O:25][CH3:26])[cH:23][c:24]34)[cH:12][cH:13][cH:14]2)[cH:31][cH:32]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 12150233HCID 12150233, compound

Product 1

HCID 12150234HCID 12150234, compound

Sources & evidence

ORD record
ord-bc03fd36f70e452e99567425a8e5fddc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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