Hydrochloric Acid → Methyl 4-[[(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)carbamoylamino]methyl]benzoate

HRID 153338Notes

Reaction equation

HRID 153338 reaction equation
[C:8](=[O:9])([O:10][CH3:11])[c:12]1[cH:13][cH:14][c:15]([CH2:16][N:17]=[C:18]=[O:19])[cH:20][cH:21]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][OH:47].[ClH:22].[NH2:23][c:24]1[cH:25][c:26]2[c:38]([cH:39][cH:40]1)-[c:29]1[c:28]([n:33]3[c:32]([c:31](=[O:37])[nH:30]1)[n:36][cH:35][cH:34]3)[CH2:27]2>>[C:8](=[O:9])([O:10][CH3:11])[c:12]1[cH:13][cH:14][c:15]([CH2:16][NH:17][C:18](=[O:19])[NH:23][c:24]2[cH:25][c:26]3[c:38]([cH:39][cH:40]2)-[c:29]2[c:28]([n:33]4[c:32]([c:31](=[O:37])[nH:30]2)[n:36][cH:35][cH:34]4)[CH2:27]3)[cH:20][cH:21]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 8471TriethylamineHCID 189753948-amino-5H,10H-imidazo[1,2-a]indeno[1,2-e]pyrazine-4-oneHCID 19066037Methyl 4-(isocyanatomethyl)benzoate

Product 1

HCID 19066012Methyl 4-[[(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)carbamoylamino]methyl]benzoate

Sources & evidence

ORD record
ord-54ba314de49f4395b7a4c4136df2f56e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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