Ammonium → HCID 59441879, compound

HRID 2311640Notes

Reaction equation

HRID 2311640 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([O:14][CH3:15])[c:10]([NH2:13])[cH:11][c:12]21.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[Cl:16][c:17]1[n:18][c:19]([NH:36][c:37]2[c:38]([C:39](=[O:40])[NH2:41])[c:42]([F:46])[cH:43][cH:44][cH:45]2)[c:20]2[c:21]([n:22]1)[n:23]([S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]1)[cH:24][cH:25]2.[ClH:47].[NH4+:55].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH-:54].[OH:56][CH2:57][C:58]([F:59])([F:60])[F:61]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([O:14][CH3:15])[c:10]([NH:13][c:17]3[n:18][c:19]([NH:36][c:37]4[c:38]([C:39](=[O:40])[NH2:41])[c:42]([F:46])[cH:43][cH:44][cH:45]4)[c:20]4[c:21]([n:22]3)[n:23]([S:26](=[O:27])(=[O:28])[c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[cH:24][cH:25]4)[cH:11][c:12]21

Participants

9

Reactant 8

HCID 223AmmoniumHCID 313Hydrochloric AcidHCID 961HydroxideHCID 64092,2,2-TrifluoroethanolHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 594418241-(6-Amino-5-methoxyindolin-1-yl)ethanoneHCID 866441882-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide

Product 1

HCID 59441879HCID 59441879, compound

Sources & evidence

ORD record
ord-2a687856451a4718b6c93859e81e8a64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…