Acetic Acid → HCID 58102784, compound

HRID 1548391Notes

Reaction equation

HRID 1548391 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:13][Si:14]([N-:15][Si:16]([CH3:17])([CH3:18])[CH3:19])([CH3:20])[CH3:21].[CH3:47][C:48](=[O:49])[OH:50].[Cl:22][c:23]1[n:24][c:25](-[n:35]2[c:36]([CH:44]([F:45])[F:46])[n:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[n:26][c:27]([N:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[n:28]1.[NH2:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1.[Na+:12].[OH2:56]>>[NH:1]([c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1)[c:23]1[n:24][c:25](-[n:35]2[c:36]([CH:44]([F:45])[F:46])[n:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[n:26][c:27]([N:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[n:28]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 113753-AminoquinolineHCID 3280088Npc316347HCID 220368724-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

Product 1

HCID 58102784HCID 58102784, compound

Sources & evidence

ORD record
ord-b7ad135b6f974ac38a8d4a79c1b37c90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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