Sodium ion → methyl 3-[4-(7-chloro-2-(methylsulfanyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-2,2-dimethylpropanoate

HRID 161368

Reaction equation

HRID 161368 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:1][C:2]([C:3](=[O:4])[O:5][CH3:6])([CH:7]=[O:8])[CH3:9].[Cl:10][c:11]1[cH:12][cH:13][c:14]2[c:15]([cH:32]1)[CH2:16][n:17]1[c:18]([cH:27][c:28]([S:30][CH3:31])[cH:29]1)[C:19]([N:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1)=[N:20]2.[Cl:47][CH2:48][Cl:49].[Na+:46]>>[CH3:1][C:2]([C:3](=[O:4])[O:5][CH3:6])([CH2:7][N:24]1[CH2:23][CH2:22][N:21]([C:19]2=[N:20][c:14]3[cH:13][cH:12][c:11]([Cl:10])[cH:32][c:15]3[CH2:16][n:17]3[c:18]2[cH:27][c:28]([S:30][CH3:31])[cH:29]3)[CH2:26][CH2:25]1)[CH3:9]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 11137194Methyl 2,2-dimethyl-3-oxopropanoateHCID 681561457-chloro-2-(methylsulfanyl)-11-(piperazin-1-yl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine

Product 1

HCID 68156134methyl 3-[4-(7-chloro-2-(methylsulfanyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-2,2-dimethylpropanoate

Sources & evidence

ORD record
ord-8ad1e57108f14be9b2be17559b8119ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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