1-Butanol → HCID 58071471, compound

HRID 2137721Notes

Reaction equation

HRID 2137721 reaction equation
[Br:1][c:2]1[c:3](-[c:9]2[cH:10][n:11]([S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH2:59]([OH:60])[CH2:61][CH2:62][CH3:63].[CH3:28][O:29][c:30]1[c:31]([NH2:32])[cH:33][cH:34][c:35]([N:37]2[CH2:38][CH2:39][CH:40]([N:43]3[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]3)[CH2:41][CH2:42]2)[cH:36]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58]>>[Br:1][c:2]1[c:3](-[c:9]2[cH:10][n:11]([S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[n:4][c:5]([NH:32][c:31]2[c:30]([O:29][CH3:28])[cH:36][c:35]([N:37]3[CH2:38][CH2:39][CH:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[CH2:41][CH2:42]3)[cH:34][cH:33]2)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 457899912-Methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)anilineHCID 580715031H-Indole, 3-(5-bromo-2-chloro-4-pyrimidinyl)-1-[(4-methylphenyl)sulfonyl]-

Product 1

HCID 58071471HCID 58071471, compound

Sources & evidence

ORD record
ord-17ae9d7ba79945549c0f0fbbb5bc4fdd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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