Hydrogen Bromide → HCID 178520310, compound

HRID 122015Notes

Reaction equation

HRID 122015 reaction equation
[BrH:34].[F:54][c:55]1[cH:56][c:57]([CH2:62][C:63](=[O:64])[NH:65][CH:66]([CH2:67][c:68]2[nH:69][c:70]3[cH:71][cH:72][cH:73][cH:74][c:75]3[cH:76]2)[C:77](=[O:78])[OH:79])[cH:58][c:59]([F:61])[cH:60]1.[NH2:35][CH:36]1[CH:37]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[S:38][c:39]2[c:40]([cH:44][cH:45][cH:46][cH:47]2)[NH:41][C:42]1=[O:43].[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[S:10][CH:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH:18]1[NH:19][C:20](=[O:21])[CH:22]([CH3:23])[NH:24][C:25](=[O:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[NH:35]([CH:36]1[CH:37]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[S:38][c:39]2[c:40]([cH:44][cH:45][cH:46][cH:47]2)[NH:41][C:42]1=[O:43])[C:77]([CH:66]([NH:65][C:63]([CH2:62][c:57]1[cH:56][c:55]([F:54])[cH:60][c:59]([F:61])[cH:58]1)=[O:64])[CH2:67][c:68]1[nH:69][c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[cH:76]1)=[O:78]

Participants

5

Reactant 4

HCID 260Hydrogen BromideHCID 134905133-amino-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-oneHCID 178465014HCID 178465014, compoundHCID 178520311HCID 178520311, compound

Product 1

HCID 178520310HCID 178520310, compound

Sources & evidence

ORD record
ord-0a396e61a04c4e84a23d23492aa8af69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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