Isopropanol → HCID 9960371, compound

HRID 168999Notes

Reaction equation

HRID 168999 reaction equation
[C:1]12([CH2:11][O:12][C:13](=[O:14])[NH:15][CH:16]([C:17](=[O:18])[OH:19])[CH2:20][NH:21][C:22](=[O:23])[c:24]3[s:25][c:26]([CH2:29][CH2:30][C:31]([NH:32][C:33]4=[N:38][CH2:37][CH2:36][CH2:35][NH:34]4)=[O:39])[cH:27][cH:28]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH:44]([CH3:45])([CH3:46])[OH:47].[S:40]([Cl:41])([Cl:42])=[O:43]>>[C:1]12([CH2:11][O:12][C:13](=[O:14])[NH:15][CH:16]([C:17]([O:18][CH:44]([CH3:45])[CH3:46])=[O:19])[CH2:20][NH:21][C:22](=[O:23])[c:24]3[s:25][c:26]([CH2:29][CH2:30][C:31]([NH:32][C:33]4=[N:38][CH2:37][CH2:36][CH2:35][NH:34]4)=[O:39])[cH:27][cH:28]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 24386Thionyl ChlorideHCID 18761254HCID 18761254, compound

Product 1

HCID 9960371HCID 9960371, compound

Sources & evidence

ORD record
ord-7bfe20964af843f3898709df311ef23c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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