1-Methylpyrrolidine-2-carboxylic acid → HCID 178480180, compound

HRID 1135171Notes

Reaction equation

HRID 1135171 reaction equation
[B-:54]([F:55])([F:56])([F:57])[F:58].[CH3:26][N:27]1[CH:28]([C:29](=[O:30])[OH:31])[CH2:32][CH2:33][CH2:34]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[NH2:1][c:2]1[cH:3][c:4]([Cl:25])[c:5]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[C:15](=[O:24])[O:16][CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1.[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[NH:1]([c:2]1[cH:3][c:4]([Cl:25])[c:5]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]3[C:15](=[O:24])[O:16][CH2:17][c:18]4[c:19]3[cH:20][cH:21][cH:22][cH:23]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1)[C:29]([CH:28]1[N:27]([CH3:26])[CH2:34][CH2:33][CH2:32]1)=[O:30]

Participants

8

Reactant 7

HCID 5571-Methylpyrrolidine-2-carboxylic acidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 226446801-[1-(4-Amino-2-chlorophenyl)piperidin-4-yl]-1,4-dihydro-2H-3,1-benzoxazin-2-one

Product 1

HCID 178480180HCID 178480180, compound

Sources & evidence

ORD record
ord-0508af6b515f4bb2a5bd1e2879ad9b25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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