Hydrochloric Acid → HCID 178488248, compound

HRID 139081Notes

Reaction equation

HRID 139081 reaction equation
[CH3:59][CH2:60][OH:61].[ClH:52].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([C:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 312751,4-DioxaneHCID 22347211N1-[4-(4-amino-1 trityl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-fluoro-4-trifluoromethylbenzamide

Product 1

HCID 178488248HCID 178488248, compound

Sources & evidence

ORD record
ord-e8b52c70fbe647338c958ffb3c8d4df3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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