Phenylacetic Acid → HCID 86004048, compound

HRID 1219706Notes

Reaction equation

HRID 1219706 reaction equation
[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[O:44]1[CH:45]([c:50]2[cH:51][cH:52][c:53]([O:60][CH3:61])[c:54]3[n:55][c:56]([NH2:59])[s:57][c:58]23)[CH2:46][O:47][CH2:48][CH2:49]1.[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[O:1]=[C:2]([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:59][c:56]1[n:55][c:54]2[c:53]([O:60][CH3:61])[cH:52][cH:51][c:50]([CH:45]3[O:44][CH2:49][CH2:48][O:47][CH2:46]3)[c:58]2[s:57]1

Participants

7

Reactant 6

HCID 999Phenylacetic AcidHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 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 86004048HCID 86004048, compound

Sources & evidence

ORD record
ord-608d4f49001c42668a6b2b97e6c859b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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