1-Butanol → HCID 178428241, compound

HRID 1227388Notes

Reaction equation

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

Participants

Reactant 4

HCID 2631-Butanol

HCID 10422Azetidine

HCID 81531Diisopropylethylamine

HCID 1784282252-Chloro-N-{4-[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl)-benzamide

Product 1

HCID 178428241HCID 178428241, compound

Sources & evidence

ORD record: ord-46ce11509c29459db6e0c1ab43ebc7aa
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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