Hydrochloric Acid → HCID 178443675, compound

HRID 672290Notes

Reaction equation

HRID 672290 reaction equation
[CH:77]([N:78]([CH2:79][CH3:80])[CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[Cl:86][CH2:87][Cl:88].[ClH:52].[NH2:41][C:42]1([C:47](=[O:48])[O:49][CH2:50][CH3:51])[CH:43]([CH:45]=[CH2:46])[CH2:44]1.[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([O:33][CH3:34])[CH2:8][CH:9]([C:30](=[O:31])[OH:32])[N:10]([C:12]([CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]=[CH2:20])[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:11]2)[cH:5][cH:6]1.[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([O:33][CH3:34])[CH2:8][CH:9]([C:30](=[O:31])[NH:41][C:42]3([C:47](=[O:48])[O:49][CH2:50][CH3:51])[CH:43]([CH:45]=[CH2:46])[CH2:44]3)[N:10]([C:12]([CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]=[CH2:20])[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:11]2)[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22082824Ethyl 1-amino-2-vinylcyclopropanecarboxylateHCID 178443676HCID 178443676, compound

Product 1

HCID 178443675HCID 178443675, compound

Sources & evidence

ORD record
ord-97594ac7edb84413822f2e5e7d5b102e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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