Isopropanol → HCID 178503436, compound

HRID 199016Notes

Reaction equation

HRID 199016 reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][CH:43]([OH:44])[CH3:45].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[nH:8][n:9][c:10]2-[c:11]1[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]1.[NH2:19][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1>>[c:2]1([NH:19][CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]2)[n:3][cH:4][c:5]2[c:6]([n:7]1)[nH:8][n:9][c:10]2-[c:11]1[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 8471TriethylamineHCID 1514400tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylateHCID 178503430HCID 178503430, compound

Product 1

HCID 178503436HCID 178503436, compound

Sources & evidence

ORD record
ord-3606d9f40b2541338f0eda869f0feb26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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