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Acetone → HCID 20196874, compound

HRID 1233431
Notes
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Reaction equation

HRID 1233431 reaction equation
[CH3:17][C:18](=[O:19])[CH3:20].[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([S:13](=[O:14])(=[O:15])[CH3:16])[c:10]([Br:12])[cH:11]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH:29]1([CH2:32][N:33]2[CH2:34][CH:35]([NH2:38])[CH2:36][CH2:37]2)[CH2:30][CH2:31]1.[Cl:21][C:22]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])=[O:28].[OH2:39]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[NH:38][CH:35]2[CH2:34][N:33]([CH2:32][CH:29]3[CH2:30][CH2:31]3)[CH2:37][CH2:36]2)[cH:8][c:9]([S:13](=[O:14])(=[O:15])[CH3:16])[c:10]([Br:12])[cH:11]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 180AcetoneHCID 962WaterHCID 8471TriethylamineHCID 62365Isobutyl chloroformateHCID 162445651-(Cyclopropylmethyl)pyrrolidin-3-amineHCID 53854905HCID 53854905, compound

Product 1

HCID 20196874
HCID 20196874, compound

Sources & evidence

ORD record
ord-c92bccfa45d14b2cbc1b9753625ed883
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes