Isopropanol → HCID 58751573, compound

HRID 142625Notes

Reaction equation

HRID 142625 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH:41]([OH:42])([CH3:43])[CH3:44].[Cl:31][c:32]1[s:33][c:34]2[c:35]([n:36]1)[cH:37][cH:38][cH:39][cH:40]2.[NH2:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:11]2[CH2:12][CH2:13][C:14]([c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)([OH:23])[CH2:15][CH2:16]2)[CH2:9][CH2:10]1>>[NH:1]([CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:11]2[CH2:12][CH2:13][C:14]([c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)([OH:23])[CH2:15][CH2:16]2)[CH2:9][CH2:10]1)[c:32]1[s:33][c:34]2[c:35]([n:36]1)[cH:37][cH:38][cH:39][cH:40]2

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 8471TriethylamineHCID 119872-ChlorobenzothiazoleHCID 69366905HCID 69366905, compound

Product 1

HCID 58751573HCID 58751573, compound

Sources & evidence

ORD record
ord-c35adc72385a47b6848379b84938f26d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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