Water → HCID 20331289, compound

HRID 2343476Notes

Reaction equation

HRID 2343476 reaction equation
[CH3:10][O:11][c:12]1[cH:13][cH:14][c:15]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][Br:28])[cH:16][cH:17]1.[CH3:30][N:31]([P:32]([N:33]([CH3:34])[CH3:35])([N:36]([CH3:37])[CH3:38])=[O:39])[CH3:40].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[OH2:29]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1)[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][c:15]1[cH:14][cH:13][c:12]([O:11][CH3:10])[cH:17][cH:16]1

Participants

5

Reactant 4

HCID 962WaterHCID 12679HexamethylphosphoramideHCID 133964-AminobenzonitrileHCID 21837968HCID 21837968, compound

Product 1

HCID 20331289HCID 20331289, compound

Sources & evidence

ORD record
ord-5cd9866486be4384adbe12354d7168f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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