Hydrochloric Acid → HCID 178474223, compound

HRID 2331909Notes

Reaction equation

HRID 2331909 reaction equation
[B-:19]([F:20])([F:21])([F:22])[F:23].[CH2:69]([OH:70])[CH3:71].[CH2:72]([Cl:73])[Cl:74].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[N:11]([C:12]([CH3:13])=[O:14])[CH:15]1[CH2:16][CH2:17][CH2:18]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]([n:55][c:56]([CH:58]([CH3:59])[NH2:60])[nH:57]2)[cH:61][cH:62]1.[Cl:63].[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][c:2]1[cH:3][c:4]([C:5](=[O:7])[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:8][cH:9][c:10]1[N:11]([C:12]([CH3:13])=[O:14])[CH:15]1[CH2:16][CH2:17][CH2:18]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 242525581-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-amineHCID 693153603-methyl-4-(N-cyclobutyl-N-acetylamino)benzoic acid

Product 1

HCID 178474223HCID 178474223, compound

Sources & evidence

ORD record
ord-d41ab698a9174c928c51c071d81f1844
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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