Sodium ion → Tert-butyl 2-[[cinnolin-3-ylmethyl-(7-methoxy-2,2-dimethyl-1,3-benzodioxole-5-carbonyl)amino]methyl]pyrrolidine-1-carboxylate

HRID 1136317Notes

Reaction equation

HRID 1136317 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH:21]([CH2:25][NH2:26])[CH2:22][CH2:23][CH2:24]1.[C:27]([O:28][BH-:29]([O:30][C:31](=[O:32])[CH3:33])[O:34][C:35](=[O:36])[CH3:37])(=[O:38])[CH3:39].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][O:49][c:50]1[cH:51][c:52]([C:61](=[O:62])[Cl:63])[cH:53][c:54]2[c:55]1[O:56][C:57]([CH3:59])([CH3:60])[O:58]2.[Cl:64][CH2:65][Cl:66].[Na+:40].[n:1]1[n:2][c:3]([CH:11]=[O:12])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[n:1]1[n:2][c:3]([CH2:11][N:26]([CH2:25][CH:21]2[N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:24][CH2:23][CH2:22]2)[C:61]([c:52]2[cH:51][c:50]([O:49][CH3:48])[c:55]3[c:54]([cH:53]2)[O:58][C:57]([CH3:59])([CH3:60])[O:56]3)=[O:62])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 2756484(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidineHCID 17859657Cinnoline-3-carbaldehydeHCID 714100777-Methoxy-2,2-dimethyl-2H-1,3-benzodioxole-5-carbonyl chloride

Product 1

HCID 69311114Tert-butyl 2-[[cinnolin-3-ylmethyl-(7-methoxy-2,2-dimethyl-1,3-benzodioxole-5-carbonyl)amino]methyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-740a2e258bcf4a8fa25a22536b0db948
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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