Hydrochloric Acid → N-tert-Butyl-3-[2-(2-methoxy-4-piperidin-4-yl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzenesulfonamide

HRID 674713Notes

Reaction equation

HRID 674713 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([O:44][CH3:45])[c:17]([NH:20][c:21]3[n:22][n:23]4[c:24]([cH:25][n:26]3)[cH:27][cH:28][c:29]4-[c:30]3[cH:31][c:32]([S:36]([NH:37][C:38]([CH3:39])([CH3:40])[CH3:41])(=[O:42])=[O:43])[cH:33][cH:34][cH:35]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:53][CH2:54][Cl:55].[ClH:46]>>[NH:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([O:44][CH3:45])[c:17]([NH:20][c:21]3[n:22][n:23]4[c:24]([cH:25][n:26]3)[cH:27][cH:28][c:29]4-[c:30]3[cH:31][c:32]([S:36]([NH:37][C:38]([CH3:39])([CH3:40])[CH3:41])(=[O:42])=[O:43])[cH:33][cH:34][cH:35]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 667120084-{4-[7-(3-tert-Butylsulfamoyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-3-methoxy-phenyl}-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 66711286N-tert-Butyl-3-[2-(2-methoxy-4-piperidin-4-yl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzenesulfonamide

Sources & evidence

ORD record
ord-3443b21ebd5c4fd9ad312c06f8df6577
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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