Dichloromethane → HCID 178437577, compound

HRID 1124893Notes

Reaction equation

HRID 1124893 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[OH:11])[CH:12]([CH3:13])[c:14]1[n:15][c:16](-[c:19]2[c:20]([Cl:29])[cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[n:17][o:18]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:81][CH2:82][Cl:83].[NH:30]1[CH:31]([C:32](=[O:33])[NH2:34])[CH2:35][CH2:36][CH2:37]1.[OH:38][n:39]1[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[N:30]1[CH:31]([C:32](=[O:33])[NH2:34])[CH2:35][CH2:36][CH2:37]1)[CH:12]([CH3:13])[c:14]1[n:15][c:16](-[c:19]2[c:20]([Cl:29])[cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[n:17][o:18]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 550774Pyrrolidine-2-carboxamideHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178437578HCID 178437578, compound

Product 1

HCID 178437577HCID 178437577, compound

Sources & evidence

ORD record
ord-d592b0360fec4bf990842f2f0cb9010b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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