Water → HCID 13923375, compound

HRID 1132723Notes

Reaction equation

HRID 1132723 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH2:7][N:8]([CH2:9][CH2:10][CH2:11][CH:12]([C:13]#[N:14])[c:15]2[cH:16][c:17]([O:23][CH3:24])[cH:18][c:19]([O:21][CH3:22])[cH:20]2)[CH3:25])[cH:26][cH:27][cH:28]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH:31]([CH3:32])([CH3:33])[Br:34].[NH2-:30].[Na:29].[OH2:35]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH2:7][N:8]([CH2:9][CH2:10][CH2:11][C:12]([C:13]#[N:14])([c:15]2[cH:16][c:17]([O:23][CH3:24])[cH:18][c:19]([O:21][CH3:22])[cH:20]2)[CH:31]([CH3:32])[CH3:33])[CH3:25])[cH:26][cH:27][cH:28]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 63582-BromopropaneHCID 2826723AzanideHCID 5360545SodiumHCID 22158469HCID 22158469, compound

Product 1

HCID 13923375HCID 13923375, compound

Sources & evidence

ORD record
ord-44e17038921f453eb51fd5fcb81d4274
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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