Hydrochloric Acid → HCID 178471246, compound

HRID 2126738Notes

Reaction equation

HRID 2126738 reaction equation
[CH2:26]([CH3:27])[O:28][C:29](=[O:30])[CH:31]([NH2:32])[CH2:33][CH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[CH:1]1([CH2:7][CH2:8][CH:9]([C:10](=[O:11])[OH:12])[NH:13][C:14](=[O:15])[c:16]2[nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[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:25].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[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.[nH:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[cH:48][c:49]1[C:50]([OH:51])=[O:52]>>[CH:1]1([CH2:7][CH2:8][CH:9]([C:10]([O:11][CH2:26][CH3:27])=[O:12])[NH:13][C:14](=[O:15])[c:16]2[nH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 72899Indole-2-carboxylic acidHCID 81531DiisopropylethylamineHCID 4122776HCID 4122776, compoundHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 69214790HCID 69214790, compound

Product 1

HCID 178471246HCID 178471246, compound

Sources & evidence

ORD record
ord-444fae705be24af4b2cf0954db54a12a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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