Hydrochloric Acid → HCID 178492697, compound

HRID 288988Notes

Reaction equation

HRID 288988 reaction equation
[B-:19]([F:20])([F:21])([F:22])[F:23].[CH2:69]([OH:70])[CH3:71].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]1[CH2:12][N:13]1[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:50][c:51]1[cH:52][c:53]2[c:54]([nH:55][c:56]([CH:58]([CH3:59])[NH2:60])[n:57]2)[cH:61][cH:62]1.[Cl:63].[Cl:72][CH2:73][Cl:74].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:8])[NH:60][CH:58]([c:56]2[nH:55][c:54]3[c:53]([cH:52][c:51]([Cl:50])[cH:62][cH:61]3)[n:57]2)[CH3:59])[cH:9][cH:10][c:11]1[CH2:12][N:13]1[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 69312522HCID 69312522, compoundHCID 178463384HCID 178463384, compound

Product 1

HCID 178492697HCID 178492697, compound

Sources & evidence

ORD record
ord-2540a9eb88784bfaa4f7cb9e001ac0fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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