1-Butanol → HCID 10116086, compound

HRID 2137997Notes

Reaction equation

[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:26][n:27]1[cH:28][c:29]([CH2:30][CH2:31][NH2:32])[n:33][cH:34]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([NH:22][CH2:23][CH2:24][Cl:25])[cH:20][cH:21]1.[I-:45].[K+:44]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([NH:22][CH2:23][CH2:24][NH:32][CH2:31][CH2:30][c:29]2[cH:28][n:27]([CH3:26])[cH:34][n:33]2)[cH:20][cH:21]1

Participants

Reactant 6

HCID 2631-Butanol

HCID 813Potassium Cation

HCID 36141-Methylhistamine

HCID 30165Iodide Ion

HCID 81531Diisopropylethylamine

HCID 114176532-Chloro-5-(2-chloroethyl)amino-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)benzamide

Product 1

HCID 10116086HCID 10116086, compound

Sources & evidence

ORD record: ord-bbdcebb064ed459ba3ccd34fdb0a56a7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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