Sodium ion → methyl 4-(acetylamino)-13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylate

HRID 104482Notes

Reaction equation

HRID 104482 reaction equation
[C:3]([CH3:4])(=[O:5])[NH:6][c:7]1[c:8]([NH:32][C:33]([CH2:34][Cl:35])=[O:36])[c:9](-[c:13]2[nH:14][c:15]3[cH:16][c:17]([C:28](=[O:29])[O:30][CH3:31])[cH:18][cH:19][c:20]3[c:21]2[CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:10][cH:11][cH:12]1.[H-:2].[Na+:1].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[C:3]([CH3:4])(=[O:5])[NH:6][c:7]1[c:8]2[c:9]([cH:10][cH:11][cH:12]1)-[c:13]1[n:14]([c:15]3[cH:16][c:17]([C:28](=[O:29])[O:30][CH3:31])[cH:18][cH:19][c:20]3[c:21]1[CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1)[CH2:34][C:33](=[O:36])[NH:32]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 68706281methyl 2-{3-(acetylamino)-2-[(chloroacetyl)amino]phenyl}-3-cyclohexyl-1H-indole-6-carboxylate

Product 1

HCID 68705017methyl 4-(acetylamino)-13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylate

Sources & evidence

ORD record
ord-c6e1d920cdf548bfbb228b06114d0112
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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