Ammonia → HCID 46917572, compound

HRID 2315294Notes

Reaction equation

HRID 2315294 reaction equation
[Cl:53][CH2:54][Cl:55].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH3:23])[CH2:18][CH2:19]3)[n:13]1)[cH:30][c:31]([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:32][c:33]2[O:34][CH3:35])[F:44].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[NH3:52].[OH2:56]>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH3:23])[CH2:18][CH2:19]3)[n:13]1)[cH:30][c:31]([NH2:36])[cH:32][c:33]2[O:34][CH3:35])[F:44]

Participants

6

Reactant 5

HCID 222AmmoniaHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66698055tert-butyl 2-(difluoromethyl)-4-methoxy-1-[4-[4-(methylsulfonyl)-1-piperazinyl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazol-6-ylcarbamate

Product 1

HCID 46917572HCID 46917572, compound

Sources & evidence

ORD record
ord-828baa678b5e4df6a8ff51763297cd73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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