Isopropanol → HCID 59843019, compound

HRID 666907Notes

Reaction equation

HRID 666907 reaction equation
[CH:29]([OH:30])([CH3:31])[CH3:32].[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:12][CH3:13])[cH:9][n:10][c:11]12.[NH2:14][CH2:15][CH2:16][n:17]1[c:18](=[O:28])[cH:19][cH:20][c:21](-[c:23]2[s:24][cH:25][cH:26][cH:27]2)[cH:22]1>>[c:2]1([NH:14][CH2:15][CH2:16][n:17]2[c:18](=[O:28])[cH:19][cH:20][c:21](-[c:23]3[s:24][cH:25][cH:26][cH:27]3)[cH:22]2)[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:12][CH3:13])[cH:9][n:10][c:11]12

Participants

4

Sources & evidence

ORD record
ord-d9d8b59e31ad49ada88f8b75e446bb6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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