Ethylene Glycol → 4-(6-Benzylbenzo[d]thiazol-2-yl)-3-fluorobenzaldehyde

HRID 1543501Notes

Reaction equation

HRID 1543501 reaction equation
[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][c:12]2[c:13]([n:14][c:15]([NH2:17])[s:16]2)[cH:18][cH:19]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH3:59][CH2:60][OH:61].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:20].[F:21][c:22]1[c:23]([C:24]([Cl:25])=[O:26])[cH:27][cH:28][c:29]([CH:31]=[O:32])[cH:30]1.[K+:2].[Na+:46].[OH-:1].[OH-:45].[OH2:47].[OH:62][CH2:63][CH2:64][OH:65].[Sn:42]([Cl:43])[Cl:44]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][c:12]2[c:13]([n:14][c:15](-[c:23]3[c:22]([F:21])[cH:30][c:29]([CH:31]=[O:32])[cH:28][cH:27]3)[s:16]2)[cH:18][cH:19]1

Participants

14

Reactant 13

HCID 174Ethylene GlycolHCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 961Hydroxide2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 24479Stannous ChlorideHCID 81531DiisopropylethylamineHCID 219855102-Amino-6-benzylbenzothiazoleHCID 584152862-Fluoro-4-formylbenzoyl chloride

Product 1

HCID 584152504-(6-Benzylbenzo[d]thiazol-2-yl)-3-fluorobenzaldehyde

Sources & evidence

ORD record
ord-7de4ad0901cb4f7ea2f01bccde18e5ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…