Valeryl chloride → HCID 10032988, compound

HRID 1114829Notes

Reaction equation

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

Participants

Reactant 2

HCID 61186Valeryl chloride

HCID 9987414HCID 9987414, compound

Product 1

HCID 10032988HCID 10032988, compound

Sources & evidence

ORD record: ord-93d552d2d5684643b2a8222ae3830723
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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