Acetonitrile → HCID 14210081, compound

HRID 119089Notes

Reaction equation

HRID 119089 reaction equation
[CH2:20]([CH3:21])[N:22]([CH2:23][CH3:24])[CH2:25][CH:26]1[N:27]([CH2:32][CH2:33][NH2:34])[CH2:28][CH2:29][CH2:30][CH2:31]1.[CH3:35][C:36]#[N:37].[Cl:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:16][s:17][c:18]2[CH3:19])[C:7](=[O:15])[NH:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2>>[C:2](=[O:3])([N:4]1[c:5]2[c:6]([cH:16][s:17][c:18]2[CH3:19])[C:7](=[O:15])[NH:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[NH:34][CH2:33][CH2:32][N:27]1[CH:26]([CH2:25][N:22]([CH2:20][CH3:21])[CH2:23][CH3:24])[CH2:31][CH2:30][CH2:29][CH2:28]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 142099804-chlorocarbonyl-4,9-dihydro-3-methyl-10H-thieno[3,4-b][1,5]benzodiazepin-10-oneHCID 142100002-[2-[(Diethylamino)methyl]piperidin-1-yl]ethanamine

Product 1

HCID 14210081HCID 14210081, compound

Sources & evidence

ORD record
ord-2b82343eb63a4b89a1658d462dbc82b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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