Chloroform → HCID 22507752, compound

HRID 676000Notes

Reaction equation

HRID 676000 reaction equation
[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:1][N:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11]1)[CH3:12].[Cl:69][CH:70]([Cl:71])[Cl:72].[O:46]1[CH:47]([c:52]2[cH:53][cH:54][c:55]([O:62][CH3:63])[c:56]3[n:57][c:58]([NH2:61])[s:59][c:60]23)[CH2:48][O:49][CH2:50][CH2:51]1.[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[CH3:1][N:2]([c:3]1[cH:4][c:5]([C:6](=[O:8])[NH:61][c:58]2[n:57][c:56]3[c:55]([O:62][CH3:63])[cH:54][cH:53][c:52]([CH:47]4[O:46][CH2:51][CH2:50][O:49][CH2:48]4)[c:60]3[s:59]2)[cH:9][cH:10][cH:11]1)[CH3:12]

Participants

8

Reactant 7

HCID 6212ChloroformHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 668373-(Dimethylamino)benzoic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22507697(+)-7-[1,4)Dioxan-2-yl-4-methoxy-benzothiazol-2-ylamine

Product 1

HCID 22507752HCID 22507752, compound

Sources & evidence

ORD record
ord-30229ff564ec460181fc1490277e1722
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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