Hydrochloric Acid → HCID 91202699, compound

HRID 1236796Notes

Reaction equation

HRID 1236796 reaction equation
[C:52](=[O:53])([O-:54])[O-:55].[CH3:32][c:33]1[s:34][cH:35][c:36]([CH:38]=[CH:39][c:40]2[c:41]([OH:51])[n:42][n:43](-[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:44]2)[n:37]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:1][CH2:2][c:3]1[cH:4][c:5]([O:29][CH3:30])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]3)[o:12][c:13]2[CH3:14])[cH:27][cH:28]1.[ClH:31].[K+:56].[K+:57].[OH2:63]>>[CH2:2]([c:3]1[cH:4][c:5]([O:29][CH3:30])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]3)[o:12][c:13]2[CH3:14])[cH:27][cH:28]1)[O:51][c:41]1[c:40]([CH:39]=[CH:38][c:36]2[cH:35][s:34][c:33]([CH3:32])[n:37]2)[cH:44][n:43](-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[n:42]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 86605724Ethyl (4-{4-[(4-chloromethyl-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)acetateHCID 1784327164-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one

Product 1

HCID 91202699HCID 91202699, compound

Sources & evidence

ORD record
ord-2d10714cff2b4cb9b897c20e7eb00cca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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