Water → HCID 178477916, compound

HRID 2336783Notes

Reaction equation

HRID 2336783 reaction equation
[Br:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][c:17]1[c:18](-[c:32]2[n:33][nH:34][cH:35][cH:36]2)[cH:19][c:20]([Cl:31])[c:21]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:22]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[Cl:50][CH2:51][Cl:52].[OH2:37]>>[Br:1][c:36]1[c:32](-[c:18]2[c:17]([O:16][CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[cH:22][c:21]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:20]([Cl:31])[cH:19]2)[n:33][nH:34][cH:35]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 67184N-bromobutanimideHCID 178477876HCID 178477876, compound

Product 1

HCID 178477916HCID 178477916, compound

Sources & evidence

ORD record
ord-b6dc00f4780e496b8c40c416df242402
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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