N-methyl-2-pyrrolidone → Balamapimod

HRID 1138960Notes

Reaction equation

HRID 1138960 reaction equation
[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:29]#[N:30])[cH:18][n:19][c:20]3[cH:21][c:22]([F:28])[c:23]([O:26][CH3:27])[cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1.[N:31]1([CH:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[CH2:32][CH2:33][CH2:34][CH2:35]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:29]#[N:30])[cH:18][n:19][c:20]3[cH:21][c:22]([N:39]4[CH2:38][CH2:37][CH:36]([N:31]5[CH2:32][CH2:33][CH2:34][CH2:35]5)[CH2:41][CH2:40]4)[c:23]([O:26][CH3:27])[cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1

Participants

4

Reactant 3

HCID 13387N-methyl-2-pyrrolidoneHCID 787034-(1-Pyrrolidinyl)piperidineHCID 234980744-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile

Product 1

HCID 11478684Balamapimod

Sources & evidence

ORD record
ord-19f74fd691f3480a974c549ea4eef798
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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