Dichloromethane → HCID 59605996, compound

HRID 191085Notes

Reaction equation

HRID 191085 reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[c:11]3[n:12][c:13]([C:18]4([OH:24])[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:31][cH:32][cH:33][cH:34]2.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:75][CH2:76][Cl:77].[OH:35][C:36]([C:37](=[O:38])[OH:39])([CH3:40])[CH3:41].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[c:11]3[n:12][c:13]([C:18]4([OH:24])[CH2:19][CH2:20][N:21]([C:37]([C:36]([OH:35])([CH3:40])[CH3:41])=[O:38])[CH2:22][CH2:23]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:31][cH:32][cH:33][cH:34]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 116712-Hydroxyisobutyric acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59605600HCID 59605600, compound

Product 1

HCID 59605996HCID 59605996, compound

Sources & evidence

ORD record
ord-f16d0c9dfaef40cfb613c77e51915490
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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