Dichloromethane → HCID 57990067, compound

HRID 147923Notes

Reaction equation

HRID 147923 reaction equation
[CH3:63][CH:64]([CH3:65])[C:66]([OH:67])=[O:68].[Cl:69][CH2:70][Cl:71].[NH2:1][CH2:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10](-[c:20]3[c:21]([F:38])[c:22]([NH:26][S:27](=[O:28])(=[O:29])[c:30]4[c:31]([F:37])[cH:32][cH:33][c:34]([F:36])[cH:35]4)[cH:23][cH:24][cH:25]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[s:13]2)[n:8]1.[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH:1]([CH2:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10](-[c:20]3[c:21]([F:38])[c:22]([NH:26][S:27](=[O:28])(=[O:29])[c:30]4[c:31]([F:37])[cH:32][cH:33][c:34]([F:36])[cH:35]4)[cH:23][cH:24][cH:25]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[s:13]2)[n:8]1)[C:66]([CH:64]([CH3:63])[CH3:65])=[O:67]

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6590Isobutyric AcidHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57989626HCID 57989626, compound

Product 1

HCID 57990067HCID 57990067, compound

Sources & evidence

ORD record
ord-d31a507bc4d54fd4b1ac80e6b70e050a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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