Hydrochloric Acid → HCID 76697774, compound

HRID 2330441Notes

Reaction equation

HRID 2330441 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:26](=[O:27])[OH:28])[CH2:10][CH:11]([O:13][C:14](=[O:15])[N:16]2[CH2:17][c:18]3[cH:19][cH:20][cH:21][c:22]([Cl:25])[c:23]3[CH2:24]2)[CH2:12]1.[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[Cl:85][CH2:86][Cl:87].[ClH:29].[ClH:30].[K+:84].[NH2:31][C:32]1([C:37](=[O:38])[NH:39][S:40](=[O:41])(=[O:42])[CH:43]2[CH2:44][CH2:45]2)[CH:33]([CH2:35][CH3:36])[CH2:34]1.[OH2:88].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[S:79](=[O:80])(=[O:81])([OH:82])[O-:83].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:26](=[O:27])[NH:31][C:32]2([C:37](=[O:38])[NH:39][S:40](=[O:41])(=[O:42])[CH:43]3[CH2:44][CH2:45]3)[CH:33]([CH2:35][CH3:36])[CH2:34]2)[CH2:10][CH:11]([O:13][C:14](=[O:15])[N:16]2[CH2:17][c:18]3[cH:19][cH:20][cH:21][c:22]([Cl:25])[c:23]3[CH2:24]2)[CH2:12]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 962WaterHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 61778Sulfate, hydrogenHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68745998HCID 68745998, compoundHCID 69094373HCID 69094373, compound

Product 1

HCID 76697774HCID 76697774, compound

Sources & evidence

ORD record
ord-2cf74abbc29844a0bb17b60ba0fcf8a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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