Acetic Acid → 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid [5-(6-fluoro-1H-benzimidazol-2-yl)-9H-pyrrolo[1,2-a]indol-9-yl]amide

HRID 1132775Notes

Reaction equation

HRID 1132775 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[F:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([nH:11][c:12](-[c:14]3[cH:15][cH:16][cH:17][c:18]4[c:22]3-[n:21]3[c:20]([cH:25][cH:24][cH:23]3)[CH:19]4[NH2:26])[n:13]2)[cH:27]1.[nH:28]1[cH:29][cH:30][c:31]2[c:32]1[n:33][cH:34][cH:35][c:36]2[C:37](=[O:38])[OH:39]>>[F:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([nH:11][c:12](-[c:14]3[cH:15][cH:16][cH:17][c:18]4[c:22]3-[n:21]3[c:20]([cH:25][cH:24][cH:23]3)[CH:19]4[NH:26][C:37]([c:36]3[c:31]4[cH:30][cH:29][nH:28][c:32]4[n:33][cH:34][cH:35]3)=[O:38])[n:13]2)[cH:27]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 224774261H-pyrrolo[2,3-b]pyridine-4-carboxylic acidHCID 670727168-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine

Product 1

HCID 445378641H-pyrrolo[2,3-b]pyridine-4-carboxylic acid [5-(6-fluoro-1H-benzimidazol-2-yl)-9H-pyrrolo[1,2-a]indol-9-yl]amide

Sources & evidence

ORD record
ord-058afe71e59a427196c2d3188506418b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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